1

MANONMANIAM SUNDARANAR UNIVERSITY TIRUNELVELI

PG - COURSES – AFFILIATED COLLEGES
M.Sc. CHEMISTRY
(Choice Based Credit System)
(For those who joined from 2021- 2022 onwards)

VISION OF THE UNIVERSITY

To provide quality education to reach the un-reached.

MISSION OF THE UNIVERSITY

 To conduct research, teaching and outreach programmes to improve conditions of
human living.
 To create an academic environment that honours women and men of all races, caste,
creed, cultures and an atmosphere that values intellectual curiosity, pursuit of
knowledge, academic freedom and integrity.
 To offer a wide variety of off-campus educational and training programs, including
the use of information technology, to individuals and groups.
 To develop partnership with industries and government so as to improve the quality of
the workplace and to serve as catalyst for economic and cultural development.
 To provide quality/inclusive education, especially for the rural and un-reached
segments of economically downtrodden students including women, socially oppressed
and differently abled.

PREAMBLE
All the changes in life in one-way or other involve chemistry. Chemistry is central to
the current revolutions in science. No educated person today can understand the modern
world without a basic knowledge of chemistry. The existence of a large number of chemical
factories, mines and related industries necessitates chemistry education. An advanced course
in chemistry will be a fascinating experience because it helps us understanding our
surroundings. Hence, the Programme M.Sc. (Chemistry) is offered to meet current needs of
aspiring youths and also create awareness about the in-depth scientific aspects to the society.
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ELIGIBILITY
A Bachelor's degree in B. Sc Chemistry.

VISION OF THE PROGRAMME

Provide quality education and training in the field of chemistry to enable successful
careers for the post graduate students in the field of education, research and industry
applications of chemical science.
MISSION OF THE PROGRAMME
 To empower the youth through quality education and to provide professional
leadership.
 To train and mentor students to become technically competent, responsible scientists,
scientifically literate professionals and strong academicians who will constructively
contribute to the overall growth of the society.
 To usher in construction of the thinking of students to scientifically tackle modern
problems and global challenges.

PROGRAMME EDUCATIONAL OBJECTIVES (PEOs)

 PEO1: To impart knowledge in fundamental aspects of all branches of chemistry
 PEO2: To acquire deep knowledge in the study of spectroscopy, Disconnection
approach, Synthetic chemistry, Coordination chemistry, Inorganic polymers, Group
theory, Quantum chemistry, etc.
 PEO3: To acquire knowledge in the specialized areas of chemistry like Green
chemistry, Nanoscience and Nanotechnology, Chemistry of Industrial products,
Medicinal chemistry, Industrial processes, Catalysis, Forensic chemistry.
 PEO4: To impart the basic analytical and technical skills to work effectively in the
various fields of chemistry.
 PEO5: To motivate critical thinking and analysis skills to solve complex chemical
problems, e.g., analysis of data, synthetic logic, spectroscopy, structure and modeling,
team-based problem solving, etc.
 PEO6: To enable the students to be competent, creative and highly valued
professionals in industry, academia or government.
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PROGRAMME OUTCOMES (POs):

On successful completion of the Programme, students will be able to
 PO1: Function as responsible individuals with ethical values, accountable to the
community.
 PO2: Gain detailed knowledge of the major areas of chemistry including a wide range
of factual information and experimentally observed phenomena.
 PO3: Apply chemical concepts in new situations and computational software in
chemistry efficiently.
 PO4: Think critically and analyze chemical problems.
 PO5: Work effectively and safely in a laboratory environment.
 PO6: Present scientific and technical information resulting from laboratory
experimentation by means of oral presentation, scientific poster or a written report.
 PO7: Pursue higher education / employable/ entrepreneur.
 PO8: Work in teams as well as independently in academia, industry or government.

PROGRAMME SPECIFIC OUTCOMES (PSOs)

Upon successful completion of M.Sc. Chemistry programme, graduates will be able to
 PSO1: Apply advanced concepts of organic, analytical, physical and inorganic
chemistry to solve complex problems to improve human life.
 PSO2: Possess skill in spectral, analytical, qualitative and quantitative techniques
which will be useful in industry.
 PSO3: Gain knowledge in recent and advanced developments in the area of Green
Chemistry, Chemistry of Industrial products and formulation, Forensic Chemistry,
Industrial Processes, Catalysis, Nanoscience and Nanotechnology, Medicinal
Chemistry, Natural Products Chemistry, Bioinorganic Chemistry, Computational
Chemistry, Contrasting agents in medical Diagnosis, Sensors etc.
 PSO4: Design a synthetic route for new compounds and transform innovative ideas
into reality.
 PSO5: Be competent in problem solving, critical thinking and analytical reasoning as
applied to scientific problems.
 PSO6: Acquire understanding of Plagiarism and Intellectual Property Rights.
 PSO7: Use Computational software in chemistry efficiently.
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 PSO8: Carry out research / investigation independently to solve practical problems

and write / present a substantial technical report/document.
 PSO9: Transform learned knowledge and skills to qualify in the NET and other
competitive exams for higher studies and job.

COURSE STRUCTURE

Sem. Sub. Course Status Course Title Contact Credits

No. Hrs/ week
I 1 Core - 1 Aromaticity and Organic Reaction Mechanism 4 4

2 Core - 2 Fundamentals of Inorganic Chemistry, Nuclear 5 4

Chemistry and Inorganic Polymers
3 Core - 3 Quantum Mechanics and Spectroscopy – I 5 4
4 Elective – I 1.1 Green Chemistry – Techniques and 4 4
(Choose any Applications
One) 1.2 Chemistry of Industrial Products and
Formulation
1.3 Forensic Chemistry

5 Core - 4 Organic Chemistry Practical – I 4 2

Practical - 1
6 Core – 5 Inorganic Chemistry Practical – I 4 2
Practical - 2
7 Core - 6 Physical Chemistry Practical – I 4 2
Practical - 3
Subtotal 30 22
II 8 Core - 7 Stereochemistry, Organic Reagents and 5 4
Photochemistry
9 Core - 8 Coordination Compounds and Solid State 4 4
Chemistry
10 Core - 9 Electrochemistry and Spectroscopy - II 5 4
11 Elective – II 2.1 Nanoscience And Nanotechnology 4 4
(Choose any 2.2 Medicinal Chemistry
One) 2.3 Industrial processes and Catalysis
12 Core - 10 Organic Chemistry Practical – II 4 2
Practical - 4
13 Core - 11 Inorganic Chemistry Practical – II 4 2
Practical - 5
14 Core – 12 Physical Chemistry Practical – II 4 2
Practical - 6
Subtotal 30 22
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Sem Sub. Course Status Course Title Contact Credits

No Hrs/ week
15 Core - 13 Organic Spectroscopy and Rearrangements 5 4
III
16 Core - 14 Spectral Methods-I, Organo Metallic and 5 4
Analytical Methods
17 Core - 15 Group Theory and Chemical Thermodynamics 4 4

18 Core - 16 Scientific Research Methodology 4 4

19 Core - 17 Organic Chemistry Practical – III 4 2
Practical - 7
20 Core - 18 Inorganic Chemistry Practical – III 4 2
Practical - 8
21 Core - 19 Physical Chemistry Practical – III 4 2
Practical - 9
Subtotal 30 22
22 Core - 20 Synthetic Strategies in Organic Chemistry 5 4
IV
23 Core - 21 Bioinorganic, Spectral Methods-II and 5 4
Photochemistry
24 Core - 22 Chemical Kinetics, Photochemistry and Surface 5 4
Chemistry
25 Core - 23 Selected Topics in Chemistry 4 4
26 Core – 24 Computational Software in Chemistry - 4 2
Practical-10 Laboratory Course
(Hands on
Training)
27 Core - 25 Project 7 + 5* 6
Subtotal 30 24
Total 120 90

*Extra hours for the project

For the project, flexible credits are b/w 5-8 & Hours per week are b/w 10-16.
Total number of credits ≥ 90 : 90
Total number of Core Courses : 25 (14T+10P+1Project)
Total number of Elective Courses : 02
Total number of Courses : 27
Total hours : 120
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EVALUATION
The evaluation of each course comprises two components that are Internal and External.
THEORY
External : Internal = 75 : 25
PRACTICAL
External : Internal = 50 : 50
COMPUTATIONAL SOFTWARE IN CHEMISTRY - LABORATORY COURSE
External : Internal = 50 : 50
PROJECT
External : Internal = 50 : 50

INTERNAL
THEORY
Maximum marks: 25
There is no minimum pass mark for internal. But, if it is less than 50%, it should be
compensated in the external.
Components Marks
The average of the best two tests 15
from three compulsory tests
Assignment 05
Seminar 05
Total 25
Note: Re internal assessment test for the student will not be allowed.

PRACTICAL
Maximum marks: 50
There is no minimum pass mark for internal. But, if it is less than 50%, it should be
compensated in the external.
The break-up for the internal component will be as follows:
Components Marks
Number of Experiments 30
Record 10
Mid-Term and Model Test Average 10

Total 50
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COMPUTATIONAL SOFTWARE IN CHEMISTRY - LABORATORY COURSE

The students must do the exercises depending on the availability of time and suitable
computational chemistry software and maintain the file with printed copy of results. This file
should be submitted at the end of semester during the viva – voce examination.
Maximum marks: 50
There is no minimum pass mark for internal. But, if it is less than 50%, it should be
compensated in the external.
The break-up for the internal component is as follows:
Components Marks
Number of Exercises 30
Periodical submission of Reports 10
Model Test Average 10

Total 50

PROJECT
Maximum marks: 50
There is no minimum pass mark for internal. But, if it is less than 50%, it should be
compensated in the external.
Students will do the experiments and project work on a title approved by the
respective project supervisor. Students will maintain daily records and present oral reports
while doing project preparation. All the above process will be duly assessed by the project
supervisor to award the internal mark.
EXTERNAL
THEORY
Maximum marks: 75
Passing minimum marks: 38
The external evaluation will be based on the examinations to be conducted by the University
at the end of each semester.
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Question Pattern:
Section – A
Answer ALL the Questions (Multiple choice questions) 10 x 1 = 10
[Two Questions from One Unit]
Section – B
Answer ALL the Questions choosing either (a) or (b) 5 x 5 = 25
[One Question from each Unit]
Section – C
Answer ALL the Questions choosing either (a) or (b) 5 x 8 = 40
[One Question from each Unit]
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Model Question Paper:

Code No. : Subject Code : ZCHM11
M.Sc. (CBCS) DEGREE EXAMINATION,
NOVEMBER 2021
First Semesterr
Chemistry
ORGANIC CHEMISTRY – I
(For those who joined in July 2021-22)
Time: Three hours Maximum: 75 marks
Q. PART A – (10 X 1 = 10 marks) CO K - Level
No Answer ALL the questions
Choose the correct answer:
1 Which one of the following compounds has dipolemoment? 1 K4
(a) Benzene (b) Azulene (c) Cyclobutane (d) Naphthalene
2. Choose the anti aromatic hydrocarbons 1 K4

(i) (ii) (iii)

(a) i (b) ii (c) iii (d) i, ii and iii
3. The crossover product is obtained in the ------------ reaction pathway 2 K2
(a) Intramolecular (b) Intermolecular (c) Inter – Intramolecular
(d) Intra – Intermolecular
4. In aliphatic unimolecular nucleophilic substitution reaction, the 2 K2
geometry of first transition state resembles to that of ------------------.
(a) Reactant (b) Product (c) Intermediate (d)Second Transition state
5. The intermediate formed in Wolff rearrangement is -------------. 3 K2
(a) carbene (b) carbanion (c) aryne (d) nitrene
6. Nitrene is a ------------- species. 3 K2
(a) monovalent (b) divalent (c) trivalent (d) tetravalent
7. When 2-bromobutane undergoes elimination reaction (alk. KOH), 80% - 4 K4
--------------- and 20% 1-butene are produced.
(a) 2-butene (b) ethene (c) ethane (d) propene
8. Reaction intermediate of E1CB reaction is -----------. 4 K2
(a) Benzene (b) Six membered cyclic transition state (c) Carbanion (d)
Carbocation
9. Birch reduction reagent is ------. 5 K2
(a) Na/Hg (b) NaBH4 (c) Na/liq. NH3 (d) R-MgX
10. The intermediate formed in Wittig reaction is ------- 5 K2
(a) Carbonium ion (b) Carbanion (c) Aryne (d) Ylide
PART B – (5 X 5 = 25 marks)
Answer ALL the questions choosing either (a) or (b)
Each answer should not exceed 250 words
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11. (a) Comment on the aromaticity of [10] and [14] annulenes. 1 K2

Or
(b) Describe the structure and synthesis of adamantane. K2
12. (a) What do you mean by thermodynamic and kinetic controlled 2 K2
reactions? Explain with suitable example.
Or
(b) Write down the significance of the reaction constant and K2
substituent constant of Hammett equation.
13. (a) Explain the stability and structure of singlet and triplet carbenes. 3 K2
Or
(b) Discuss the mechanism of Kolbe reaction. K2
14. (a) Discuss the aliphatic nucleophilic SN2 mechanism with examples. 4 K2
Or
(b) What are the conditions that favour E1CB mechanism in an K2
elimination reaction? Illustrate with two examples.
15. (a) Write a brief account on benzyne mechanism. 5 K2
Or
(b) Give an account of the synthetic applications of Wittig reaction. K2
PART C – (5 X 8 = 40)
Answer ALL the questions choosing either (a) or (b)
Each answer should not exceed 600 words.
16. (a) Discuss the concept of antiaromaticity and homoaromaticity with 1 K2 (30%)
examples. K4 (70%)
Or
(b) Discuss the aromaticity of (i) Azulene and (ii) Sydnones K2 (30%)
K4 (70%)
17. (a) How the following methods are useful in studying the reaction 2 K2
mechanism? (i) study of intermediates (ii) isotope labeling.
Or
(b) Discuss about the following:
(i) Primary isotopic effect (ii) Hammond Postulate (4+ 4) K2
18. (a) Discuss the mechanism of (i) Hoffmann rearrangement (ii) 3 K2
Hofmann-Loffler reaction.
Or
(b) Narrate the generation, stability and reactions of free radicals. K2
19. (a) Explain how  and bonds behave as neighbouring groups to 4 K2
accelerate reactions. Show how they affect the stereochemistry.
Or
(b) Write short notes on (i) SN1 mechanism (ii) Chugaev reaction (iii) K2
Cope reaction.

20. (a) (i) Write an account of Smiles rearrangement. 5 K2

(ii) Write any four synthetic applications of NaBH4.
Or
(b) Discuss the mechanism for (i) Mannich reaction K2
(ii) Dieckmann condensation
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PRACTICAL
Maximum marks: 50
Passing minimum marks: 25
Practical examinations will be conducted at the end of each semester. The scheme of
valuation is to be decided by the respective board of Question setters.

COMPUTATIONAL SOFTWARE IN CHEMISTRY - LABORATORY COURSE

Maximum marks: 50
Passing minimum marks: 25
The external examiner and internal examiner will conduct viva-voce regarding the
computational chemistry software used by the students during the entire course to award
external mark.

PROJECT AND VIVA-VOCE

Maximum marks: 50
Passing minimum marks: 25
Project report evaluation and Viva-Voce will be conducted by the external examiner
and the Research Supervisor. The break-up for the project work is as follows:
Components Marks
Project Report 30
Viva-Voce 20
Total 50

Note:
Scheme of evaluation of Project report includes choosing a universal problem, novelty of the
title, purpose and importance of work for future development and methodology of writing the
project report.
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SEMESTER I
L T P C
CORE 1 AROMATICITY AND ORGANIC REACTION MECHANISM
4 0 0 4

Course Objectives:
 To understand the concept of aromaticity, Novel ring systems and organic reaction
mechanism determination.
 To study about reactive intermediates involved in organic reactions.
 To understand Aliphatic and Aromatic Nucleophilic substitution reaction, Elimination
and Addition reaction mechanisms.

UNIT I - AROMATICITY AND NOVEL RING SYSTEM (12 Hours)

Aromaticity: Benzenoid and non–benzenoid aromatic compounds – sextet theory – MO
theory – Delocalisation and resonance - Huckel’s rule – Aromatic – antiaromatic –
homoaromatic and non–aromatic compounds - Musulin – Frost diagram - NMR and
aromaticity - Annulenes and hetero annulenes – Azulene and sydnones - Fullerenes -
Alternant and non – alternant Hydrocarbons.
Novel ring system: Nomenclature of bicyclic and tricyclic systems – structure and synthesis
of Adamantane – Congressane.
UNIT II - DETERMINATION OF ORGANIC REACTION MECHANISM (12 Hours)
Reaction mechanism: Energy diagram of simple Organic reactions – Transition state and
intermediate - Kinetic and Thermodynamic requirements of reactions – Hammond Postulate
and microscopic reversibility.
Methods: Kinetic and Thermodynamic control of product formation. Kinetic methods of
determination: Rate law – Primary and secondary isotope effect. Non-Kinetic methods of
determination: Testing and Trapping of intermediates, Isotopic labeling, Cross–over
experiment, Product analysis and stereo chemical evidence.
LFER: Hammett equation – Physical significance of and  – Applications and Limitations
– Taft equation. Yukawa Tsuno equation, Swain-Lupton equation, Grunwald–Winstein
equation.
UNIT III - REACTIVE INTERMEDIATES (12 Hours)
Carbenes: Generation, stability, structure and reactivity of carbenes – Simmons Smith
cyclopropanation, Wolff rearrangement of acyl carbenes and their synthetic applications.
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Nitrenes: Generation, stability, reaction of nitrenes - Mechanism of rearrangements through

Nitrene intermediate: Schmidt, Hoffmann, Beckmann rearrangements.
Free radicals: Formation, structure, stability and reactivity - Fenton, Kolbe, Hofmann-
Loffler, Barton – McCombie, Giese reactions and Barton-decarboxylation.
UNIT IV - ALIPHATIC NUCLEOPHILIC SUBSTITUTION AND ELIMINATION
REACTIONS (12 Hours)
Aliphatic nucleophilic substitution: Mechanism of SN1, SN2, SNi, SN1’, SN2’ and SNi’
reactions – Stereochemical aspects of these reactions - Effect of substrate, nucleophile,
leaving group and solvent on the rate of substitution - Ambident nucleophile – NGP.
Elimination reaction: E1, E2 and E1CB mechanisms - Stereochemical aspects of these
reactions - Factors influencing elimination reactions - Hofmann and Satyzeff rules - Pyrolytic
elimination - Chugaev and cope reactions - competition between substitution and elimination
reactions.
UNIT V - AROMATIC NUCLEOPHILIC SUBSTITUTION REACTION AND ADDITION TO
MULTIPLE BONDS (12 Hours)
Aromatic nucleophilic substitution reaction: Unimolecular, Bimolecular and Benzyne
mechanisms - Reactivity, effect of substrate, leaving group and attacking nucleophile -typical
reaction as oxygen and sulphur as nucleophile - Bucherer and Rosenmund reaction - Smiles
rearrangement - Ortho-lithiation reaction and its application.
Catalytic hydrogenation - Birch reduction - Dieckmann condensation - Mannich reaction -
Wittig reaction - Sharpless asymmetric epoxidation - Michael addition (1,2 and 1,4) -
Addition of dialkyl groups to triple bonds. Addition of hydrides – LiAlH4 and NaBH4.

TEXT BOOKS
1. R.T. Morrison, and R.N. Boyd, Organic Chemistry, 7th edn, Pearson Education, 2010.
2. J. Mc Murry, Fundamentals of Organic Chemistry, 7th edn, Cengage Learning
India Edition, 2013.
3. P. Sykes, A Guidebook to Mechanism in Organic Chemistry, 6th edn, Pearson
Education, 2003.
4. I.L. Finar, Organic Chemistry, Vol I, 6th edn, Pearson Education, 2002.
5. M.B. Smith, March's Advanced Organic Chemistry: Reactions, Mechanisms, and
Structure, 7th edn, Wiley, 2015.
6. S.M. Mukherjee and S.P. Singh, Reaction Mechanism in Organic Chemistry, Trinity
Press, 2014.
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7. John McMurry, Fundamentals of Organic Chemistry, Fifth edition, Thomson-

Brooks/Cole, 2003.
8. Raj K. Bansal, Organic Reaction mechanisms, Tata Mc Graw Hill, Third Editon,
2007.
REFERENCE BOOKS
1. Jerry March, Advanced Organic Chemistry: Reactions, Mechanisms and Structure,
Fourth edition, John Wiley & Sons (Asia) 2003.
2. S.H. Pine, Organic Chemistry, Fifth edition, Tata McGraw Hill Education, 2006.
3. T.W. Graham Solomons, C.B. Fryhle and S.A. Snyder, Organic Chemistry, 12th
edn, Wiley, 2016.
4. J. Clayden, N. Greeves and S. Warren, Organic Chemistry, Second edition, Oxford
University Press, 2014.
5. H. Togo, Advanced Free Radical Reactions for Organic Synthesis, Elsevier, 2004.
6. F.A. Carey and J. Sundberg, Advanced Organic Chemistry, Part A: Structure and
Mechanisms, Fifth edition, Springer, 2007.
7. F.A. Carey and J. Sundberg, Advanced Organic Chemistry, Part B: Reaction and
Synthesis, Fifth edition, Springer, 2007.

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Analyze and predict the aromaticity of compounds and the K4, K3,
nomenclature of bicyclic and tricyclic systems. K2
CO2 Develop skills for identifying the kinetics of reactions. K2, K5
CO3 Demonstrate the generation, stability, and reactivity of carbenes, K2
nitrenes and free radicals.
CO4 Explain and analyze the mechanism of substitution, elimination and K2, K4
addition reactions in aliphatic systems.
CO5 Infer the major types of nucleophilic substitution reactions on K2
aromatics with their specific reactivity.

K1 – Remember, K2 – Understand, K3 – Apply, K4 – Analyze, K5 – Evaluate, K6 - Create

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MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S L L S S S M M M S N N L S
CO2 M S S S L L S S S M M S S N N L S
CO3 M S S M M L S S S M M S S N N L S
CO4 M S S S L L S S S M M S S N N L S
CO5 M S S M L L S S S M M S S N N L S

S – Strongly Correlated, M – Moderately Correlated, L – Weakly Correlated, N – No

Correlation
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FUNDAMENTALS OF INORGANIC CHEMISTRY, L T P C

CORE 2
NUCLEAR CHEMISTRY AND INORGANIC POLYMERS 5 0 0 4

Objectives:
 To understand different type of bonds and to study different theories of bonding.
 To understand the acid-base concept, reactions in non-aqueous medium and to study
applications of redox potential in inorganic systems.
 To introduce nuclear chemistry and to study the applications of radio isotopes.
 To understand structures and bonding in inorganic polymers and metal clusters.

UNIT I - CHEMICAL PERIODICITY, CHEMICAL FORCES AND REDOX POTENTIAL

(15 Hours)
Cause of Periodicity; Atomic radius: Covalent radius; Vander Waals’ radii; Ionic radii;
Ionization Potential; Electron affinity and electronegativity (Their variation in the periodic
table and factors affecting them). Anomalous ionization potential and electron affinities;
Applications of electronegativity, Group - electronegativity, Electronegativity equilization.
Slater Rules: Statement, applications and limitations.
Chemical Forces: Ion – dipole forces, dipole – dipole interactions, induced dipole
interactions, instantaneous dipole – induced dipole interactions, Repulsive forces, H –
bonding and its types – Effect of chemical forces on melting point, boiling point and
solubility.
Redox potential: Factors affecting Redox potential - Applications of redox potentials:
Latimer diagram.
UNIT II - CHEMICAL BONDING (15 Hours)
Valence Bond theory: Lewis structure – Concepts and VB theory of H2 molecule -
Stereochemistry of hybrid orbitals – Calculation of s and p characters of equivalence and
nonequivalence of hybrid orbitals - VSEPR theory.
M.O. theory – Linear combination of Atomic orbitals ( s – s, s – p, d – p, p – p and d –d
overlapping) - s , p, d and quadruple bond. – M.O. diagrams of hetero nuclear diatomic
molecules (CO, NO, HF) and triatomic molecules (BeH2, H2O, CO2) – Walsh diagrams –
Structure and hybridization - Bents rule and apicophilicity.
Ionic Bond: Lattice energy – Consequences- Born-Lande equation, Born Haber cycle and
numerical problems involving it for the calculation of electron affinity or lattice energy –
Kapustinskii equation.
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UNIT III - ACID BASE CONCEPTS AND NON-AQUEOUS SOLVENTS (15 Hours)
Acid Base concepts: Lewis, Solvent systems, Lux Flood and Usanovich Acid – Base
concepts. Group characteristics of Lewis acids – Reactions of Lewis acids Relative strength
of Acids and Bases, Steric effect, Proton sponges, Solvation effects and Acid Base anomalies.
HSAB: Classification of Hard and Soft acids and bases – Pearson’s concept – Acid – base
strength and Hardness and Softness – Symbiosis – Theoretical basis of Hardness and Softness
– Electronegativity and Hardness and Softness – Applications of HSAB.
Non-aqueous solvents: Classification of protic and aprotic solvents – General characteristics
of solvents - Self ionization and leveling effect. Reactions in non-aqueous solvents - acid-
base reactions, complex formation, solvolysis, solvation, Metatheses - Reactions in liquid
NH3, SO2, H2SO4 - Molten salts.

UNIT IV - NUCLEAR CHEMISTRY (15 Hours)

Atomic nuclei: Nuclear shell structure – nuclear reactions : types, Q-value, threshold energy,
cross sections and excitation functions. Direct nuclear reactions – transmutation reactions:
stripping and pick-up – high energy reactions : neutron evaporation and spallation – heavy
ion reactions – photonuclear reactions. Nuclear fusion and stellar energy – nuclear fission :
mass distribution of fission products – fission energy – fission neutrons – theory of nuclear
fission – spontaneous fission. Waste disposal and atomic power project in India.
Radio isotopes: Preparation - Analytical applications: radio chromatography, neutron
activation analysis, neutron absorptiometry and radiometric titrations.

UNIT V - INORGANIC POLYMERS AND METAL CLUSTERS (15 Hours)

Inorganic polymers: General characteristics, degree of polymerization, catenation and
heterocatenation - property correlation - Polyacids - structures of isopoly and heteropoly
anions - Polymeric sulphur nitride - Borazines - Phosphazenes - Phosphazene polymers -
Boranes and carboranes - Structure and bonding in boranes - Wade’srule.
Structure and Bonding of Inorganic Metal clusters: Dinuclear Clusters: Cu(II)
4- 2
carboxylate, Chromium(II) acetate, Mo2Cl8 and Re2Cl8 - - Trinuclear Clusters: Re3Cl9 -
Tetranuclear Clusters: W4(OR)12, W4(OR)16, Mo4Cl124- - Hexanuclear Clusters: [Nb6Cl12]2+,
[Os6 (CO)18]2- and [Mo6Cl8]Cl4– Capping rule – poly atomic Zintl ions.
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TEXT BOOKS
1. James E. Huheey, Ellen A. Keiter, Richard L. Keiter and O.K. Medhi, Inorganic
chemistry: principles of Structure and Reactivity, 4th Edition, Pearson Education
India, 2006.
2. J.D. Lee, Concise Inorganic Chemistry, Wiley, 5th Edition, 2014.
3. Wahid.U.Malik , G.D.Tuli and R.D.Madhan , Selected Topics in Inorganic Chemistry
, S.Chand& Company, New Delhi, 2009.
4. P.Atkins , T.Overton , J.Rourke , M.Weller and F.Armstrong , Inorganic Chemistry ,
5th edition , Oxford University press, 2010.
5. C.E.Housecraft and A.G.Sharpe , Inorganic Chemistry , 4th edition , Pearson, 2012.
6. Samuel Glasstone, Source Book of Atomic Energy, 3rd edition, East West, 1979.
7. H.J. Arnikar, Essentials of Nuclear Chemistry, Wiley Eastern, 4th Edition, 2000.

REFERENCE BOOKS
1. F. Albert Cotton, Geoffrey Wilkinson, Carlos A. Marilo and Manfred Bochman,
Advanced Inorganic Chemistry, Wiley Interscience Publication, 6th Edition, 1999.
2. N.N. Greenwood and Earnshaw, Chemistry of the Elements, Pergamon Press, 2nd
Edition, 1997.
3. B.E. Douglas, D.H. McDaniel and J.J. Alexander, Concepts and Models of Inorganic
Chemistry, John Wiley and Sons. 3rd Edition, 2010.
4. K.F. Purcell and J.C. Kotz, Advanced Inorganic Chemistry, Cengage Learning, 2012.
5. W.l.Jolly ,Modern Inorganic Chemistry , 2nd Edition , McGraw-Hill ,1991.
6. J.E.Mark , R.West&H.R.Allcock , Inorganic Polymers , Academic Press ,1992.
7. G. Friedlander, J.W. Kennedy, E.S. Macies and Julian Malcolm, Nuclear and
Radiation Chemistry, Wiley Interscience publication, 1981.
8. Gregory Choppin, Jan-OlovLiljenzin, Jan Rydberg and Christian Ekberg,
Radiochemistry and Nuclear Chemistry, Academic Press, 4th Edition, 2013.
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COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Recall the basic concepts of atomic structure, periodic table, periodic K1
properties and chemical bonding of elements.
CO2 Explain poly acids, cage compounds and Inorganic polymers. K2
CO3 Apply the concept of hybridization to identify the structure of K3
molecules by VBT, MOT and VSEPR theory.
CO4 Distinguish hard and soft acids and bases and explain their relative K4
strengths.
CO5 Explain various nuclear reactions and the analytical applications of K2 , K3
radio isotopes.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S L L L S S S S M M M N N S S
CO2 M S S M L L S S S S M S M N N S S
CO3 M S S M L L S S S S M S M N N S S
CO4 M S S M M L S S S S M S M N N S S
CO5 S S S S S L S S S S M S M N N S S
 20

L T P C
CORE 3 QUANTUM MECHANICS AND SPECTROSCOPY – I
5 0 0 4

Objectives:
 To have a good foundation in understanding the physical and mathematical aspects of
quantum mechanics that leads to classical thermodynamics.
 To become familiar with the required mathematics for solving quantum mechanical
problems.
 To understand and appreciate the quantum mechanical approach to the atomic and
molecular electronic structure.
 To know quantization of energy and the interaction of electromagnetic radiation with
matter.
 To learn the fundamentals of molecular spectroscopy.
 To know the application of spectroscopy to study the structure of molecules.
UNIT I - MATHEMATICS FOR QUANTUM MECHANICS (QM) AND QM POSTULATES
(15 hours)
Coordinate systems, Complex numbers - Functions (odd & even, orthogonality and
normalization) - Operators: Linear, Differential, and Hermitian and Hamiltonian operators -
Quantum mechanical treatment of angular momentum - simultaneous measurement of several
properties. Statement of Heisenberg Uncertainty Principle by using the evaluation of
commutator of [x, px] and their significance. Eigen functions and eigen values - Failure of
Classical Mechanics and the need for QM - Postulates of QM - The time-dependent and time
- independent Schrodinger wave equations.
UNIT II - SOME QM MODELS AND THEIR APPLICATIONS (15 hours)
Particle in a box (1D & 3D), degeneracy and its application to linear conjugated molecular
systems. Bohr’s correspondence principle. QM tunneling, Rigid Rotor: wave equation and
solution calculation of rotational constants and bond length - Harmonic Oscillator: wave
equation and solution, anharmonicity force constant and its significance. The Hydrogen atom
and H-like ions: Solution to H and H-like wave equation, radial and angular functions,
quantum numbers n, l and m and their importance. Radial distribution functions and H-like
orbitals and their representation.
UNIT III - APPLICATION OF QM TO MULTI-ELECTRON ATOMS (15 hours)
Approximation Methods: Need for approximation methods - The electron spin, Pauli
exclusion principle and Slater determinant for He atom. The variation method - trial variation
 21

function and variational integral (examples of variational calculations from particle in a box
and Helium atom). Molecular QM and Chemical Bonding - Hydrogen molecule ion - the use
oflinear variation function, the LCAO method - Hydrogen molecule: Molecular orbital theory
and Heitler-London treatment. Electronic structure of conjugated systems: Huckel method
applied to ethylene, allyl system, 1,3-butadiene and benzene.

UNIT IV - INTRODUCTION TO SPECTROSCOPY AND ROTATIONAL SPECTROSCOPY

(15 hours)
Electromagnetic radiation: Quantization of energy, rotational, vibrational, and electronic
energy levels and transitions in molecules; regions and representation of spectra. Resolution
and intensity of spectral transition: signal-to-noise ratio, width of spectral lines - collision
broadening, Doppler broadening, Heisenberg uncertainty principle; intensity of spectral lines-
selection rules and transition probability, transit ion moment integral, Einstein absorption and
emission coefficients, Boltzmann distribution.
Diatomic molecules as rigid rotors: Rotational energy levels, intensity of spectral lines,
selection rules, effect of isotopic substitution. Diatomic molecules as non-rigid rotors:
rotational transitions, centrifugal distortion constant; rotational spectra of linear and
symmetric top polyatomic molecules.

UNIT V - VIBRATIONAL SPECTROSCOPY (15 hours)

Vibrating diatomic molecule: Energy of diatomic molecules as simple harmonic oscillator-
energy levels, vibrational transitions, selection rules; anharmonic oscillator energy levels,
selection rules, vibrational transitions. Diatomic vibrating rotator: Born-Oppenheimer
approximation, vibration-rotation spectra, selection rules, P, Q, R branches. Vibrations of
polyatomic molecules: symmetry and fundamental vibrations, normal modes of vibration,
overtones, combination, difference bands; influence of rotations on the spectra of polyatomic
molecules-parallel and perpendicular vibrations in linear and symmetric top molecules.
Raman Effect: Rayleigh and Raman scattering, Stokes’ and anti-Stokes’ radiation, molecular
polarizability, Raman selection rules.Raman spectra: rotational Raman spectra- linear
molecules, symmetric top and spherical top molecules; vibrational Raman spectra-symmetry
and Raman active vibrations, rule of mutual exclusion; rotation-vibration Raman spectra of
diatomic molecules. Applications of IR and Raman spectroscopy: skeletal and group
vibrations, fingerprinting and absorption frequencies of functional groups for inorganic and
organic compounds.
 22

TEXT BOOKS
1. A. K. Chandra, Introductory Quantum Chemistry; 4th Edition, Tata McGraw Hill,
2001.
2. R.K. Prasad, Quantum Chemistry through problems and Solutions, New Age
International Publishers, New Delhi., 1997.
3. R.P. Rastogi and V.K. Srivastava, An Introduction to Quantum Mechanics of
Chemical Systems, Oxford & IBH Publishing Co., NewDelhi, 1986.
4. C. N. Banwell and E. M. McCash, Fundamentals of Molecular Spectroscopy; 4th
Edition, McGraw Hill Education, 2016.
5. K.V. Raman, R. Gopalan and P.S. Raghavan, Molecular Spectroscopy, Thomson and
Vijay Nicole, Singapore, 2004.

REFERENCE BOOKS
1. W. J. Moore, Physical Chemistry, 5th edition, Orient Longman, 1976.
2. P. Atkins, J.D. Paula and J. Keeler, Physical Chemistry, 11th Edition, Oxford
University press, 2018.
3. D.A. McQuarrie and J.D. Simon, Physical Chemistry: A Molecular Approach, Viva
Books Private Limited, New Delhi, 2020.
4. D.A. McQuarie, Quantum Chemistry, Viva Books, 2016.
5. R.L. Flurry, Symmetry Groups: Theory and Chemical Applications, Prentice Hall,
1980.
6. Ira N. Levine, Quantum Chemistry, 7th edition, Pearson, 2013.
7. Ira N. Levine, Molecular Spectroscopy, John Wiley & Sons, New York, 1975.
8. K. Nakamoto, Infrared and Raman Spectra of Inorganic and coordination
Compounds, Part B: 5th ed., John Wiley & Sons Inc., New York, 1997.
9. G. M. Barrow, Introduction to Molecular Spectroscopy, McGraw Hill, 1962.
 23

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the mathematical and physical aspects of quantum mechanics K2
which illustrates the relationship between mathematics and
fundamental of quantum mechanics.
CO2 Solve quantum mechanical problems. K3
CO3 Analyze the quantum mechanical aspects in various areas of K4
applications in chemistry.
CO4 Explain the basic idea of quantization of energy and spectroscopy and K2, K3
apply to the rotational spectra of diatomic molecules.
CO5 Explain the basic principles of vibrational spectra of diatomic K2
molecules including both IR and Raman spectra.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M M L L S S S M M N S N S M S
CO2 M S S S L L S S S M M N S N S M S
CO3 M S S S L L S S S S S N S N S M S
CO4 M S S M L L S S S S S N S N S M S
CO5 M S S S L L S S S S S N S N S M S
 24

1.1 GREEN CHEMISTRY – TECHNIQUES AND L T P C

ELECTIVE - I
APPLICATIONS 4 0 0 4

Objectives:
 To understand the basic principles of Green chemistry and Green techniques.
 To study Green catalysis and Green solvents.
 To learn Renewable energy sources, their working principle and applications.

UNIT I – BASIC PRINCIPLES OF GREEN CHEMISTRY (12 Hours)

Green chemistry principles – Waste minimization and atom economy – atom economic
reactions and calculations – Reduction of non-renewable raw materials usage –
considerations in protecting group and catalysts need – process intensification – Reduction of
energy requirements – alternative energy sources and energy efficient improvements –
Reduction of risk and hazards – Inherently safer design and alternative solvents. Green
metrics – selected metrics used: Effective Mass Yield – E factor – Reaction Mass Efficiency
– Mass Intensity and Mass Productivity.
UNIT II – GREEN CATALYSIS (12 Hours)
Introduction to green catalysis – heterogeneous catalysis – applications of zeolites, silica,
alumina, clay, polymers, cyclodextrin and solid supported catalysts in green chemical
reactions. Bio-catalysis - role of enzymes in catalytic oxidation, catalytic reduction, catalytic
hydrolysis and catalytic carbon-carbon formation reactions. Green aspects – microbial
production of ethanol. Phase-transfer catalysis and its advantage –applications of crown
ethers in oxidation, substitution, elimination and esterification reactions.
UNIT III – GREEN SOLVENTS (12 Hours)
Role of solvents in synthesis – Application of green solvents –Super critical fluids – super
critical carbon dioxide and super critical water. Aqueous phase reactions – Diels Alder
reaction, Wurtz reaction, Claisen rearrangement, Aldol condensation, Knoevenagel reaction,
Michel reaction. Ionic liquids - properties of ionic liquids -applications of ionic liquids as
catalysts and solvents. An introduction to tunable and switchable solvent systems.
UNIT IV – GREEN TECHNIQUES AND ALTERNATIVE ENERGY SOURCES (12 Hours)
Photochemical reactions – photo reduction reactions, photochemical ring closure of dienes.
Green techniques using microwaves – merits and demerits of microwave techniques –
mechanism of microwave heating – effects of solvents in microwave assisted synthesis –
microwave assisted reactions - Hoffman elimination, Heck reaction, Suzuki reaction,
Microwave solvent free reactions – Deacetylation, saponification of esters. Sonochemistry –
 25

basics of sonochemistry – ultrasound assisted reactions – Friedal-Crafts reaction, Simmons-

Smith reaction, Cannizzaro reaction, Strecker synthesis and Reformatsky reaction.
UNIT V – RENEWABLE ENERGY RESOURCES (12 Hours)
Introduction to renewable energy sources - types of renewable energy sources - Solar cells:
basic principles, types and their applications - Fuel cells - basic principles, types and their
applications – working principle and applications of Biofuel cells - brief introduction about
hydroelectric, biomass, wind power and geothermal power and their applications and
limitations - energy from some other natural sources.

TEXT BOOKS
1. Mike Lancaster, Green Chemistry: An Introductory Text, RSC, 2002.
2. Editors -James Clark and Duncan MacQuarrie, Handbook of green chemistry and
technology, Blackwell Science, 2002.
3. Edited by – Paul T. Anastas, Green Processes Vol 7: Green Synthesis, Wiley – VCH,
2012.
4. V.K Ahluwalia and M. Kidwai, New Trends in Green Chemistry, Anamaya
Publishers, 2004.
REFERENCE BOOKS
1. Roger Arthur Sheldon, Isabel Arends and Ulf Hanefeld, Green Chemistry and
Catalysis, Wiley – VCH, 2007.
2. John Twidell and Tony Weir, Renewable Energy Resources, Routledge Third Edition,
2015.
3. Francesca M. Kerton, Alternative Solvents for Green Chemistry, RSC Publishing,
2009.
4. Edited by Suresh C. Ameta and Rakshit Ameta, Green Chemistry: Fundamentals and
Applications, Apple Academic Press, 2013.
5. Gadi Rothenberg, Catalysis: Concepts and Green Applications, Wiley-VCH, 2008.
 26

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the basic principles of green chemistry, alternative energy K2
sources and green metrics.
CO2 Apply the green catalysis in chemical reactions. K3
CO3 Identify the role of important green solvents in organic reactions. K5

CO4 Illustrate name reactions and analyze the various green reactions using K2, K4
microwave techniques.
CO5 Explain the principles of renewable energy resources and generate its K2, K6
importance to the environment.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S S S S L S S S S S S S N L S S
CO2 S S S S S L S S S S S S S N L S S
CO3 S S S S M L S S S S S S S N L S S
CO4 S S S S S L S S S S S S S N L S S
CO5 S S S S M L S S S S S S S N L S S
 27

1.2 CHEMISTRY OF INDUSTRIAL PRODUCTS AND L T P C

ELECTIVE - I
FORMULATION 4 0 0 4

Objectives:
 To study paint formulations, various cosmetics and manufacture and refining of pulp.
 To learn milk processing, milk products and textile fibres.

UNIT I - PAINTS AND PIGMENTS (12 Hours)

General characteristics of pigments - Types of pigments, methods of preparation and
properties of white pigments - Paints, varnishes and Lacquers – function and classification -
Function of vehicle, solvent, thinner, pigment, dyes, filler, resins, drier and additives in paint
formulations - oil and alkyd paints - drying mechanism, epoxy coatings - Luminous paints.
UNIT II - COSMETICS (12 Hours)
Cosmetics – Definition, classification - Additives and its role in cosmetics – surfactants –
Humectants – Antiseptics, Preservatives and Anti -oxidants. Perfumes – source,
classifications, blending and fixations.
Formulation of the following cosmetics: Cleansing cream, all-purpose cream, shampoos,
deodorants - Antiperspirants - face powder - Compact powder, sunscreen lotion, skin colorant
– lipstick. Cosmetic soaps - moisturizing soap and medicated soap. Dentifrices - toothpaste
and mouth washers.
UNIT III - PULP AND PAPER SCIENCE (12 Hours)
Raw materials for paper - Important fibre producing plants - Woody & non woody fibres
used in paper industry - Pulp Manufacture: Mechanical pulping, Thermomechanical and
Refiner mechanical pulping, semi-chemical & chemical pulping, Kraft pulping. Papermaking:
Beating and Refining of pulp - Evaluation of Paper: Physical, optical, electrical properties
and Chemical properties of paper.
UNIT IV - DAIRY CHEMISTRY (12 Hours)
Milk – definition of milk, composition - factors affecting the composition - physicochemical
properties of milk, fat, proteins, enzymes, vitamins, minerals, milk processing -
pasteurisation, sterilization, homogenisation, effect of heat on milk. Milk products -
Definition and composition of butter, ghee, ice cream, milk powder, cheese. Special milk -
definition and advantages of sterilized milk, flavoured milk, standardized milk, toned milk,
double toned milk.
 28

UNIT V - TEXTILE FIBRES (12 Hours)

Introduction and classification of textile fibres - characteristics of textile fibres - Manufacture
of eco-friendly regenerated cellulosic fibre – viscose, cuprammonium rayon. Manufacture of
Nylon-6 and Nylon 6,6. Brief study of physical & chemical properties of cotton, wool and
silk. Enhancement of fibre properties by surface treatments - Plasma treatment, enzyme
treatment, antimicrobial treatment - UV protection.

TEXT BOOKS
1. J. Bentley and G.P.A. Turner, Introduction to Paint Chemistry and Principles of Paint
Technology, Fourth edition, Springer US, 1998.
2. Harry Ralph Gordon and Rosen Meyer R, Harry's Cosmeticology, Volume 2, Ninth
edition, Chemical publishing company, 2015.
3. H. Butler, Poucher's Perfumes, Cosmetics and Soaps, 10th edition, springer, 2010.
4. Pratima Bajpai, Environmentally Friendly Production of Pulp and Paper, John wiley,
2010.
5. Jenness Robert and Patton Stuart, Principles of Dairy Chemistry, Scientific
international, 2018.
6. De Sukumar, Outlines of Dairy technology, Oxford press, 1980.
7. H.V Sreenivasa Murthy, Introduction to textile fibres, Revised edition, Woodhead
publishing India, 2015.
8. Seema Sekhri, Textbook of Fabric Science - Fundamental to finishing, PHI Learning,
Delhi, Second Reprinting, 2013.
REFERENCES BOOKS
1. D. Stoye and W. Freitag, Paints, Coatings and Solvents, Second edition, Wiley-VCH,
1998.
2. Ernest Flick, Cosmetic and Toiletry Formulations Volume 8, Second Edition, 2007.
3. Pratima Bajpai, Biermann’s Handbook of Pulp and Paper: Raw Material and Pulp
Making, Third edition, Elsevier, 2018.
4. P. Walstra, T.J. Geurts, A. Noomen, A. Jellema and M.A.J.S. Van Boekel, Dairy
technology: Principles of Milk Properties and Processes. Part II: Processes, Marcel
decker Inc. 1999.
5. Robert R Mather and Roger H Wardman, The chemistry of textile fibres, second
edition, Royal Society of Chemistry, 2015.
 29

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Acquire knowledge of paints and pigments and investigate its drying K2
mechanism.
CO2 Apply and formulate the role of cosmetics in industries. K3, K6
CO3 Identify the fibre for paper making and evaluate its properties. K5

CO4 Apply processing operations of milk and milk products in day to day K3
life.
CO5 Explain types of textile fibres and analyze its characters by various K2, K4
treatments

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S S S M L S S S S S M L N N M S
CO2 S S S S M L S S S S S M L N N M S
CO3 S S S S M L S S S S S M L N N M S
CO4 S S S S M L S S S S S M L N N M S
CO5 S S S S M L S S S S S M L N N M S
 30

L T P C
ELECTIVE - I 1.3 FORENSIC CHEMISTRY
4 0 0 4

Objectives:
 To understand the importance of Forensic science, GPS, Finger printing and
Forensic serology.
 To learn the role of chemistry in Forensic science, toxicology and DNA finger
printing.
 To understand the concept of Cyber technology.
UNIT I - ELEMENTARY FORENSIC SCIENCE (12 Hours)
Definition of Forensic science, The role of Forensic laboratory, Biometrics in Personal
Identification- Introduction, Concepts of Biometric Authentication, Role in person
Identification, Techniques and Technologies - Finger Print Technology, Face Recognition,
IRIS, Retina Geometry, Hand Geometry, Speaker Recognition, Signature Verification. Geo-
forensics - Global Positioning System, Basic principles and applications.
UNIT II - FINGER PRINTING AND FORENSIC SEROLOGY (12 Hours)
Fingerprinting - General principles of Finger Printing, Fingerprinting systems, Fingerprint
Detection - Powder tests – dry powder method, detection using cellophane tape, small
particle reagent analysis, vacuum metal deposition method, Chemical tests – silver nitrate
test, iodine fuming, ninhydrin, superglue (cyanoacrylate), Physical Developer, and ruthenium
oxide tests. Optical methods – Reflected Ultraviolet Imaging Systems, laser tests.
Forensic Serology – Blood types, Polymorphic Proteins and Isoenzymes, Characterization of
Blood stains, Blood stains patterns. Testing of Saliva.
UNIT III - FORENSIC ANALYSIS (12 Hours)
Forensic Drug Analysis – How drugs work - analysis of selected drug classes –Gamma
hydroxybutyric acid (GHB), Gamma butyro lactone (GBL), Marijuana, Anabolic steroids,
Heroin, Cocaine, Amphetamines.
Forensic analysis of Inks and paints – Questioned documents – Physical analysis, chemical
analysis of inks and paper – analytical methods – Optical microscopy, Fluorescent
techniques, TLC, FT-IR.
UNIT IV- FORENSIC TOXICOLOGY AND DNA FINGER PRINTING (12 Hours)
Forensic Toxicology – Overview - Sample types – Blood and Plasma, Urine, Vitreous fluid,
Hair. Types of Forensic Toxicology – Alcohol, Postmortem toxicology, Sport Toxicology.
Analytical methods in Forensic Toxicology – Breath alcohol test (BrAC).
 31

DNA Fingerprinting – An introduction to DNA, Forensic DNA typing - methods of DNA

typing - RFLP and PCR methods – Procedures for DNA typing, Applications of DNA testing.
UNIT V - CYBER TECHNOLOGY AND FORENSIC SCIENCE (12 Hours)
Use of computers in Forensic science - Forensic Databases, Image Databases, DNA
Databases, Paint Databases. Forensic Archiving of X-Ray Spectra, Video Image Processing
and Animation Software, Use of Networks in Forensic Science.
Computer related crime - Definitions and types - Framework for Investigating Computer-
Related Crime, Human Aspects of Computer-Related Crime.

TEXT BOOKS
1. Anil K. Jain, Arun A. Ross and Karthik Nandakumar, Introduction to Biometrics,
Springer, 2011.
2. David E. Newton, Forensic Chemistry, Fact on File, Inc, 2007.
3. Suzanne Bell, Forensic Chemistry, Pearson International, Second Edition, 2014.
4. Edited by Stuart H. James and Jon J. Nordby, Forensic Science - An Introduction to
Scientific and Investigative Techniques, CRC Press, 2003.
REFERENCE BOOKS
1. Editor – G.R. Sinha, Advances in Biometrics - Modern Methods and Implementation
Strategies, Springer, 2019.
2. Editor – Jay A. Siegel, Forensic Chemistry -Fundamentals and applications, Wiley-
Blackwell, First edition, 2016.
3. Max M. Houck, Forensic Science-Modern methods of solving crime, Praeger
Publishers, 2007.
4. Kelly M. Elkins, Introduction to Forensic chemistry, CRC Press, 2019.
5. Matthew Johll, Investigating Chemistry: A Forensic Science Perspective, W.H.
Freeman & Co, Second Edition, 2008.
 32

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Acquire knowledge on forensic science and apply through biometric K2, K3
and finger printing technique.
CO2 Interpret the different methods of finger printing and characterization K5
of blood stains.
CO3 Analyze the selected drugs, inks and paints using different techniques. K4

CO4 Identify the samples using forensic toxicology methods and DNA K3
finger printing.
CO5 Explain the proper applications of computer network in forensic K2, K6
science to investigate the crimes.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S S S M M S S S S S N S N L S S
CO2 S S S S M M S S S S S N S N L S S
CO3 S S S S M M S S S S S N S N M S S
CO4 S S S S M M S S S S S N S N S S S
CO5 S S S S M M S S S S S N S N S S S
 33

L T P C
CORE 4 ORGANIC CHEMISTRY PRACTICAL - I
0 0 4 2

Objectives:
 To introduce the students to have hands on experience to perform various reactions.
 The students can Separate and characterize the two component mixtures.

1. Qualitative analysis of Organic mixture (atleast six two component mixtures)

 Separation of organic mixtures
 Elemental analysis
 Functional group(s) identification
 Preparation of derivatives
 Physical properties determination (melting point and boiling point) for both
components and their derivatives.
Analysis may be performed in micro (or) macro scale depending upon the conditions of the
laboratory.
2. For Class Work Only:
1. Separation of Caffeine from Tea / Coffee.
2. Separation of green, blue, red inks by TLC method.
TEXT BOOKS
1. A.I. Vogel, Elementary Practical Organic Chemistry: Small Scale Preparations,
Qualitative Organic Analysis, Quantitative Organic Analysis, Pearson Education,
2011.
2. K. Bansal Raj, Laboratory Manual of Organic Chemistry, New Age
International, 2009.
3. V. Venkateswaran, R. Veeraswamy and A. R. Kulandaivelu, Basic Principles of
Practical Chemistry, Sultan Chand & Sons, 2004.
REFERENCES BOOKS
1. R.G. Engel, D.L. Pavia, G.M. Lampman and G.S. Kriz, A Microscale approach to
Organic Laboratory, 5th edition, Paperback – International Edition, 2012.
2. P.B. Cranwell, L.M. Harwood, and C. J. Moody, Experimental Organic Chemistry,
3rd edn, Wiley-Blackwell, 2017.
3. J. Leonard, B. Lygo and G. Procter, Advanced Practical Organic Chemistry, 3rd edn,
CRC Press, 2013.
 34

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the basic separation procedures of organic mixtures. K2
CO2 Select the separation methods to separate the organic mixtures. K3
CO3 Classify the functional groups using systematic procedure. K4

CO4 Determine the physical properties of organic compounds K5

CO5 Develop skills to isolate natural products from plants. K3

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S M S S M L S N N S S
CO2 M S S S S S S S S S M L S N N S S
CO3 M S S S S S S S S S M L S N N S S
CO4 M S M S S S S S S S M L M N N S S
CO5 S S S S S S S S S S M L S N N S S
 35

L T P C
CORE 5 INORGANIC CHEMISTRY PRACTICAL - I
0 0 4 2

Objectives:
 To learn the principles and methods of qualitative analysis of familiar and less
familiar cations present in a mixture.
 To identify the methodology to analyze qualitatively a metal ion in the presence
of another metal ion.
Qualitative Analysis:
Qualitative analysis of mixture containing two familiar and two less familiar cations:
Pb, Cu, Bi, Cd, Zn, Co, Ni, Mn, Ca, Ba, Sr, W, Se, Te, Mo, Ce, Zr, V, Ti, and Li.

Course work
Th & U (Course Work)
TEXT BOOKS
rd
1. V.V. Ramanujan, Inorganic Semi-micro Qualitative Analysis, 3 Edition, National
Publishing Company, Chennai, 1990.
REFERENCE BOOKS
th
1. G. Svehla, Vogel's Qualitative Inorganic Analysis, 7 Edition, Pearson Education
India, 2008.
COURSE OUTCOMES (COs)
Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Recall the procedure for the identification of more familiar metal ions. K1
CO2 Explain the principles and techniques and have skills of qualitative K2, K3
analysis of familiar and less familiar cations in a mixture.
CO3 Analyze a metal ion in the presence of another metal ion. K4

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S M M S S M S S M L S N N S S
CO2 M S S S S S S S S S M L S N N S S
CO3 M S S S S S S S S S M L S N N S S
 36

L T P C
CORE 6 PHYSICAL CHEMISTRY PRACTICAL - I
0 0 4 2
Objectives:
 To learn the Principles of Conductometric Titrations.
 To understand the Principles of Thermometry.
I. Conductometric Titrations
(a). Standard: NH4Cl Link: NaOH Estimation: HCl and CH3COOH in a mixture
(b) Standard: NH4Cl Link: NaOH Estimation: NH4Cl and HCl in a mixture
(c) Acid-Base and PrecipitationTitration
(i) Standard: Pb(NO3)2 Link:Na2CO3 Estimation: HNO3 + Pb(NO3)2
(ii) Standard: CuSO4 Link: NaOH Estimation: H2SO4 + CuSO4
(d) Determination of Solubility Product
Conductometry - Solubility product of sparingly soluble silver salts (AgCl, AgBr and
AgI).
II. Thermometry
Determination of Solution enthalpy of
(i) Oxalic acid - water
(ii) Ammonium oxalate - water
(iii) Ammonium chloride - water
(iv) Naphthalene - toluene
TEXT BOOKS
1. J. B.Yadav, Advanced Practical Physical chemistry, 20th Edn., GOEL publishing
House, Krishna Pakashan Media, 2001.
2. J.N. Gurtur and R.Kapoor, Advanced Experimental chemistry, Vol.I. Chand & Co.,
NewDelhi, 1987.
3. B.C. Kosla, Senior Practical Physical Chemistry, Simla Printers, New Delhi, 1987.
4. Saroj Kumar and Naba Kumar, Physical Chemistry Practical, New Central Book
Agency, 2012.
REFERENCE BOOKS
1. Findlay’s Practical Physical Chemistry, Revised and edited by B.P. Levitt 9th Edn.,
Longman, London, 1985.
2. W.J. Popiel, Laboratory Manual of Physical Chemistry, ELBS, London, 1970.
3. G.W. Garland, J.W. Nibler and D.P. Shoemaker, Experiments in Physical Chemistry,
8th Edn. McGraw Hill, 2009.
 37

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the principles of conductometric titrations and estimate the K2, K5
strength of solutions.
CO2 Explain the basic principles of thermometry and determine the heat of K2, K5
solution as well as the amount of solute present in the solution.
CO3 Determine the solubility product of sparingly soluble salts using K5
conductometric technique.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S S S S M L S N M S S
CO2 M S S S S S S S S S M L S N M S S
CO3 M S S S S S S S S S M L S N M S S
 38

SEMESTER II
STEREOCHEMISTRY, ORGANIC REAGENTS AND L T P C
CORE 7
PHOTOCHEMISTRY 5 0 0 4

Objectives:
 To understand the concept of Stereochemistry and conformation of organic
molecules.
 To study synthetic utility of important organic reagents.
 To understand Photochemistry and Pericyclic reactions.

UNIT I - STEREOCHEMISTRY (15 Hours)

Concept of chirality: – Stereogenicity – Topicity - Enantiotopic, diastereotopic hydrogens
and prochiral centres – axial and planar chirality – stereochemistry of compounds containing
two dissimilar asymmetric carbons, ansa compounds and para cyclophanes.
R/S notations of Spiranes, allenes and Biphenyl ortho derivatives - E/Z notation of
compounds containing one and two double bonds.
Regiospecific, Regioselective and chemoselective reactions - Stereospecific and
stereoselective synthesis – Methods of Asymmetric synthesis including enzymatic and
catalytic process – SAMP/RAMP as chiral auxiliaries - Cram’s rule and Prelog’s rule – Cram
chelation model and Felkin – Aln model.
UNIT II - CONFORMATIONAL ANALYSIS (15 Hours)
Conformation and configuration-conformational free energy-conformational analysis of
mono substituted (alkyl, halogens) and 1,1-disubstituted (alkyl) and 1,2-1,3-and 1,4-dimethyl
substituted cyclohexanes - compounds existing in boat form-conformation of cyclohexanone,
decalin and perhydrophenanthrene-Curtin-Hammett principle- conformation and reactivity of
acyclic and cyclic compounds (6membered).
UNIT III - REAGENTS IN ORGANIC SYNTHESIS (15 Hours)
Gilman’s reagent – LDA – DCC – 1,3 – dithane (umpolung synthesis ) – Selenium dioxide.
Fetizon’s reagent – Dimethyldioxirane (DMDO) – Pyridinum chloro chromate (PCC) –
Luche reagent – IBX - Lemieux – Von Rudloff reagent – Lemieux–Johnson reagent –
Woodward and prevost hydroxylation. Merrifield resin – Vaskas catalyst.
UNIT IV - ORGANIC PHOTOCHEMISTRY (15 Hours)
Introduction – Difference between Thermal and Photochemical reactions - Jablonskii
diagrams - intersystem crossing - energy transfer process – Quantum efficiency -
 39

Photosensitization – Geometry of excited states – Possible electron transitions in saturated

ketones - Reactivity of electronically excited ketones - alpha cleavages or Norrish type-I and
Norrish Type II cleavages - Paterno-Buchi reaction – Photo reduction – Photo addition –
Photo oxidation - Barton reaction – Photo Fries rearrangement - cis-trans isomerisation –
Photo chemistry of α, β unsaturated carbonyl compounds – Photochemistry of arenes –
Photochemistry of vision - Di-π methane rearrangement.
UNIT V - PERICYCLIC REACTIONS (15 Hours)
Atomic and molecular orbitals - Woodward-Hoffmann rules, FMO and correlation diagram
approaches:
Electrocyclic reaction: Concepts of con and dis rotatory motions for 4n and 4n+2system –
Cyclisation of butadiene and 1,3,5-hexatrienes - Stereochemical course of electrocyclic
reaction in terms of conservation of orbital symmetry.
Cycloaddiation: suprafacial and antarafacial, [2+2] and [4+2] cyclo addition reactions -
Dimerisation of ethylene and Diels-Alder reaction.
Sigmatropic rearrangements: Sigmatropic migration of hydrogen and carbon - (1,3) and
(1,5) shifts. (3,3) shift – Claisen, Cope and Aza-Cope rearrangements - Fluxional
tautomerism.

TEXT BOOKS
1. I.L. Finar, Organic Chemistry, Vol I, 6th edn, Pearson Education, 2002.
2. P.S. Kalsi, Stereochemistry: Conformation and Mechanism, 9th edn, New Age
International Private Limited, 2017.
3. D. Nasipuri, Stereochemistry of Organic Compounds: Principles and Applications,
Fourth edition, New Academic Science Publisher, 2012.
4. G.L. David Krupadanam, Fundamentals of Asymmetric Synthesis, University Press
(India) Private, 2013.
5. B.P.Mundy, M.G.Ellerd, F.G.Favaloro, Name Reactions and Reagents in Organic
Synthesis, 2nd Ed., 2005.
6. Dr Jagdamba Singh & Dr. L.D.S Yadav, Orgnic Synthesis: Design, Reagents,
Reactions and Rearrngements, A Pragati Second Revised Edition, 2007.
7. Raj K. Bansal, Organic Reaction mechanisms, Tata Mc Graw Hill, Third Editon,
2007.
8. Gurdeep R. Chatwal, Reaction mechanism and Reagents in organic chemistry,
Himalaya publishing House, Bombay 1992.
 40

9. Sanyal and Sanyal, Reactions, Rearrangements and Reagents, 4th edn, Bharati
Bhawan Publishers and Distributors, 2003.
10. S.M. Mukherjee and S.P. Singh, Reaction Mechanism in Organic Chemistry, Trinity
Press, 2014.
11. J. Singh, Photochemistry and Pericyclic Reactions, Third edition, New Age
International Publishers, 2012.
12. S. Sankararaman, Pericyclic Reactions - Applications and Theory, Wiley – VCH,
2005.
REFERENCE BOOKS
1. E.L. Eliel, Stereochemistry of Carbon Compounds, Tata McGraw Hill education,
2013.
2. R. Noyori, Asymmetric Catalysis in Organic Synthesis, John Wiley & Sons 1994.
3. W. Carruthers and I. Coldham, Modern Methods of Organic Synthesis, Fourth
edition, Cambridge University Press, 2015.
4. F.A. Carey and J. Sundberg, Advanced Organic Chemistry, Part B: Reaction and
Synthesis, Fifth edition, Springer, 2007.
5. I. Fleming, Pericyclic Reactions, Second edition, Oxford University Press, Oxford,
2015.
6. N.J. Turro, J .C . Scaiano, and V . Ramamurthy, Modern Molecular Photochemistry
of Organic Molecules, University Science Books, 2010.
 41

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Recognize three dimensional structures of any organic molecule with K3
orientation of atoms or groups.
CO2 Analyze the conformation and the reactivity of acyclic and six- K4
membered cyclic compounds.
CO3 Develop the skill to choose the appropriate reagents for organic K3
reactions.
CO4 Illustrate the fundamental concepts of photochemistry and its K2
application in organic reactions
CO5 Explain the core concepts of Pericyclic reactions and its mechanisms K2, K5
in organic substrates and to predict whether the chemical reaction is
thermal or photochemical.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M M L L S S S M M S M N M S S
CO2 M S M S L L S S S M M S M N M S S
CO3 M S S S L L S S S M M S S N L S S
CO4 M S M M L L S S S S M S M N M S S
CO5 M S S S L L S S S S M S S N M S S
 42

COORDINATION COMPOUNDS AND SOLID STATE L T P C

CORE 8 4 0 0 4
CHEMISTRY

Objectives:
 To know the nature of metal-ligand bond and to study various theories of bonding in
coordination compounds.
 To study the stability, chemical reactions and magnetic properties of coordination
compounds.
 To study the crystal structures, defects in solid crystals, band theory of solids and
super conductors.

UNIT I - CRYSTAL FIELD THEORY (12 Hours)

Basic concepts - Splitting of d - orbitals in Oh, Td, Tetragonal distortions and square planar
symmetries – Crystal field stabilization energy [CFSE] in Oh and Td complexes – Factors
affecting CFSE – Applications of CFSE - Jahn-Teller distortion - Static and dynamic Jahn
Teller effect. – Limitations of CFT.
MOT: Ligand Field theory - sigma and pi bonding in Oh complexes – MO of Td and square
planar complexes - Application of MOT to explain spectrochemical series.
UNIT II - STABILITY AND REACTIONS OF COORDINATION COMPOUNDS (12 Hours)
Stability of complexes - Thermodynamic and kinetic stabilities - stepwise and overall
stability constants of the metal complexes - factors affecting stability - chelate and template
effects – Template Synthesis. Determination of stability constants: Bjerrum’s method,
spectrophotometric method, continuous variation (Job’s) method.
Reactions of complexes: Lability – inertness - Ligand substitution reactions of square planar
complexes - Trans effect and trans influence - Theories of trans effect - use of trans effect in
synthesis of complexes - Substitution reactions in octahedral complexes - acid hydrolysis,
base hydrolysis and anation reactions – Racemization and isomerisation reactions - Electron
transfer reactions - Inner sphere and outer sphere processes - complementary and non-
complementary reactions-Electron transfer reactions in mixed valence complexes.
UNIT III - MAGNETIC PROPERTIES OF METAL COMPLEXES (12 Hours)
Magnetic Susceptibility – Types of Magnetic behaviours – Magnetically diluted and
concentrated materials – Determination of magnetic susceptibility: Guoy Balance and
Faraday methods – temperature dependence of magnetic susceptibility – Quenching of orbital
contribution and effect of Spin –orbit coupling to magnetic moment – Spin – state cross over
 43

–Magnetic properties of complexes with A, E and T terms; Magnetic properties of

Lanthanides and Actinides – Comparison of magnetic properties of Oh, Td and square planar
complexes of Fe(II), Co(II), Ni(II) and Cu(II).
UNIT IV - SOLID STATE – I (12 Hours)
Efficiency of Packing in crystals – Limiting radius ratio – Description of crystal structures -
calcite, zinc blende, wurtzite, rutile, fluorite, antifluorite, CsCl, CdI2, K2NiF4 - spinels and
perovskite. Crystal defects in solids - line and plane defects - Point defects: Schottky and
Frenkel defects - Non-stoichiometric defects - Colour centres. Determination of crystal
structures – Powder method and Rotating Crystal method.
UNIT V - SOLID STATE – II (12 Hours)
Free electron and Band Theory – Types of Solids: Conductors and insulators – intrinsic and
extrinsic semi conductors – p-n and n-p-n junctions. Optical and electrical properties of
Semiconductors: Photo voltaic effect – Hall effect. Super conductivity - high temperature
super conductors - BCS theory - Cooper electrons - Meissener effect and levitation.
TEXT BOOKS
1. James E. Huheey, Ellen A. Keiter and Richard L. Keiter, Inorganic chemistry:
principles Structure and Reactivity, 4th Edition, Pearson education, 2006.
2. J.D. Lee, Concise Inorganic Chemistry, Wiley, 5th edition, 2014.
3. Wahid U. Malik, G.D. Tuli and R.D. Madhan, Selected Topics in Inorganic
Chemistry, S. Chand & Company, New Delhi, 2009.
4. Anthony R. West, Solid State Chemistry and its Application, Wiley, 2nd Edition, 2014.
5. P.Atkins , T.Overton , J.Rourke , M.Weller and F.Armstrong , Inorganic Chemistry ,
5th edition , Oxford University press, 2010.
6. L.V. Azaroff, Introduction to Solids, Tata McGraw Hill Publishing, India, 1992.
7. H.V. Keer, Principles of the Solid State, Wiley Eastern, 1993.
8. D.K. Chakrabarthy, Solid State Chemistry, New Age Publisheres, 1996.
9. D. Bannerjee, Coordination Chemistry, Tata McGraw Hill, 1993.
REFERENCE BOOKS
1. F. Albert Cotton, Geoffrey Wilkinson, Carlos A. Marilo and Manfred Bochman,
Advanced Inorganic Chemistry, Wiley Interscience Publication, 6th Edition, 2008.
2. K.F. Purcell and J.C. Kotz , Inorganic Chemistry , Cengage Learning , 2012.
3. C.E. Housecraft and A.G.Sharpe, Inorganic Chemistry, 4th edition, Pearson, 2012.
4. M.C. Day Jr and J. Selbin , Theoretical Inorganic Chemistry , Literary Licensing,
LLC, 2012.
 44

5. S.F.A. Kettle, Physical Inorganic Chemistry - A Coordination Chemistry Approach,

Springer-Verlag, 1996.
6. R.Gopalan and V.Ramalingam, Concise Coordination Chemistry, Vikas Publishing
House (p), New Delhi, 2003.
7. G. Chatwal and M.S. Yadu, Coordination Chemistry, 1st edition, Himalaya publishing
House, 1992.
8. C. Kittel, Introduction to Solid State Physics, Wiley Eastern, 5th Edition, 1993.
9. D.M. Adams, Inorganic Solids: an Introduction to Concepts in Solid state structural
Chemistry, Wiley, 1974.

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Recall the basic terms in coordination chemistry, Applications and K1
limitations of CFT.
CO2 Explain the stability and reactions of various coordination complexes. K2
CO3 Compare the magnetic properties of Octahedral, Tetrahedral and K4
Square planar coordination complexes.
CO4 Classify the types of defects in solids and apply this knowledge to K2 , K3
identify the type of defect present in compounds.
CO5 Distinguish metals, semiconductors and insulators and explain the K4 , K2
properties and applications of semiconductors.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M L L L S S S M M L L N L M S
CO2 M S M M L L S S S M M L S N S S S
CO3 M S S S L L S S S S M L S N S S S
CO4 M S S S L L S S S S M L S N S S S
CO5 M S S S L L S S S S M L S N S S S
 45

L T P C
CORE 9 ELECTROCHEMISTRY AND SPECTROSCOPY - II
5 0 0 4

Objectives:
 To understand the concepts of Electrochemistry.
 To analyze the applications of Electrochemistry.
 To know quantization of energy and the interaction of electromagnetic radiation with
matter.
 To learn the fundamentals of molecular spectroscopy.
 To know the application of spectroscopy to study the structure of molecules.

UNIT I - ELECTROCHEMISTRY - I (15 Hours)

The nature of electrolytes - ion-ion and ion-solvent interactions. Mean ion activity -The
Debye-Huckel equation – Bjerrum equation - Conductivity - transport numbers - Nernst
Einstein equation - Stork Einstein equation - Debye-Huckel Onsager equation - Conductivity
at high frequency and at high field strength. Double layer-polarized and non-polarized
electrodes - Lippmann equation - Models for doublelayer - Helmholtz, Guoy&Chapmann –
Stern models - Zeta potential - Electro-kinetic phenomena – Electro-osmosis. Streaming
potential - electrophoresis.
UNIT II - ELECTROCHEMISTRY - II (15 Hours)
Electrode potential - Types of potential generation - Nernst equation - Hydrogen scale - other
reference electrodes - concentration cells - Liquid junction potential - membrane equilibria.
Butler-Volmer equation - Tafel equation - electrolysis  overvoltage - Theories of hydrogen
overvoltage - Application of EMF measurements & conductivity. Batteries - fuel cells -
corrosion. Zero current potentiometry - constant current potentiometry. Polarography – pulse
polarography - Differential pulse polarography - Stripping voltammetry. Cyclic voltammetry
- electrogravimetry - Coulometric methods.
UNIT III - ELECTRONIC SPECTROSCOPY (15 Hours)
Electronic spectra of molecules: Born-Oppenheimer approximation, Franck-Condon
Principle, selection rules, intensity of electronic transition, vibronic coupling, types of
electronic transitions. Chemical analysis by electronic spectroscopy: assignment of electronic
transitions, application to the study of organic compounds.
Emission spectroscopy: Fate of electronically excited molecules-dissociation, reemission,
fluorescence, phosphorescence; emission spectra of molecules.
 46

Lasers: Nature of stimulated emission - coherence and monochromaticity, population

inversion, cavity and mode characteristics, Q-switching, mode locking; types of lasers - solid-
state, gas, chemical, and dye lasers.
Photoelectron spectroscopy (PES): Principle and technique of PES, ultraviolet PES, X-ray
PES and Auger electronic spectroscopy.

UNIT IV - MAGNETIC RESONANCE SPECTROSCOPY (NMR AND EPR) (15 Hours)

Theory of NMR spectroscopy: Nuclear spin and magnetic nuclei, nuclear magnetic
moment, behavior of a bar magnet in a magnetic field, the NMR transition, the Bloch
equations, relaxation mechanisms. Parameters of NMR: measuring the chemical shift,
shielding and deshielding of magnetic nucleus, chemical shifts in aliphatic and aromatic
compounds, factors affecting chemical shift - inductive effect, anisotropy of chemical bonds,
hydrogen bond, temperature, solvent. Spin-spin splitting: effect of spin-spin splitting on the
spectrum, mechanism of spin. Spin splitting, chemical exchange, coupling constants;
application of spin-spin splitting to structure determination - germinal and vicinal long-range
coupling; factors influencing geminal and vicinal coupling. FT NMR spectroscopy: principle
of FT NMR-FIDs, Fourier transformation; 13C, 19F, 31P NMR - range of chemical shift values,
Electron paramagnetic resonance (EPR) spectroscopy: Theory of EPR spectroscopy,
presentation of the spectrum, nuclear hyperfine splitting in isotropic systems. EPR spectra of
anisotropic systems: anisotropy in g-value, causes of anisotropy, anisotropy in hyperfine
coupling, EPR spectra of triplet states and zero field splitting.

UNIT V - NQR AND MOSSBAUER SPECTROSCOPY AND MASS SPECTROMETRY

(15 hours)
Principle of NQR spectroscopy: Nuclear charge distribution and quadrupole moment,
quadrupole nucleus and its interaction with electric field gradient, nuclear orientations, the
asymmetry parameter , quadrupole transitions in spherical and axially symmetric fields,
quadrupole energy levels, field gradient. NQR spectra: effect of magnetic field on the spectra,
relationship between electric field gradient and molecular structure.
Principle of Mössbauer spectroscopy: Doppler shift, recoil energy, experimental technique-
sources, absorber, calibration.Mössbauer spectra: isomer shift, quadrupole splitting, magnetic
hyper fine interaction, chemical applications- isomer shift and quadrupole splitting in iron
complexes.
 47

Mass spectrometry: Ion production-electron impact and chemical ionization, field

desorption, FAB, electrospray ionization, Determination of molecular formula: molecular ion
and isotope peaks, fragmentation, rearrangements; mass spectra of different classes of organic
compounds.

TEXT BOOKS
1. S. Glasstone, An Introduction to Electrochemistry, East-West Press, 2006.
2. J.O.M. Bockris and A.K.N. Reddy, “Modern Electrochemistry” vol.1, 2A & 2B,
Plenum Press, Springer US, 2007.
3. D.R. Crow, Principles and applications of electrochemistry, 4th Edition, CRC Press,
1994.
4. K.V. Raman, R. Gopalan and P. S. Raghavan, Molecular Spectroscopy, Thomson and
Vijay Nicole, Singapore, 2004.
5. C.N. Banwell and E. M. McCash, Fundamentals of Molecular Spectroscopy, 4th
Edition, McGraw Hill Education, 2016.
6. D.H. Williams and I. Fleming, Spectroscopic Methods in Organic Chemistry, 6th
Edition, Tata McGraw Hill, 2011.
7. R.M. Silverstein and F. X. Webster, Spectroscopic Identification of Organic
Compounds, 7thEdition, John Wiley & Sons, 2005.
REFERENCE BOOKS
1. P. Atkins and J.D. Paula, Atkins’ Physical Chemistry, 9th Edition, Oxford University
Press, 2009.
2. I.N. Levine, Molecular Spectroscopy, John Wiley & Sons, New York, 1975.
3. A.U. Rahman, Nuclear Magnetic Resonance-Basic Principles, Springer-Verlag, New
York, 1986.
4. D.L. Andrews, Lasers in Chemistry, 3rdEdition, Springer-Verlag, 1997.
5. R.S. Drago, PhysicaI Methods in Chemistry; Saunders: Philadelphia, 1977.
6. J.A. Weil, J. R. Bolton and J. E. Wertz, Electron Paramagnetic Resonance;
Elementary Theory and Practical Applications, Wiley Interscience, 1994.
7. B.P. Straughan and S.Walker. Spectroscopy, Volume-3, Chapman & Hall, 1976.
 48

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the concepts of electrochemistry and basic ideas of K2
electrochemical processes.
CO2 Analyze the applications of electrochemistry such as batteries and fuel K4, K3
cells.
CO3 Illustrate the electroanalytical techniques such as Polarography, K2
Differential pulse polarography, Stripping voltammetry. Cyclic
voltammetry, etc.
CO4 Explain the basic principles of nuclear magnetic resonance (NMR) and K2
Electron paramagnetic resonance (EPR) spectroscopy techniques.
CO5 Illustrate the principles of Nuclear quadrupole resonance and K2
Mössbauer spectroscopy techniques and Mass spectrometry.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M M L L S S S M M L M N L S S
CO2 M S S S L L S S S M M L S N L S S
CO3 M S M M L L S S S S M L S N M S S
CO4 M S M M L L S S S S M L M N L S S
CO5 M S M M L L S S S S M L M N L S S
 49

L T P C
ELECTIVE - II 2.1 NANOSCIENCE AND NANOTECHNOLOGY
4 0 0 4

Objectives:
 To study structure, properties and synthetic methods of nanomaterials.
 To understand nano composites and carbon nanostructures.
 To learn nano medicines, nano robots and dendrimers.

UNIT I - NANOSTRUCTURE AND NANOMATERIALS (12 Hours)

Definition and terminology of Nano particles and Nano structural materials - crystalline and
amorphous materials – surface energy – surface area to volume ratio – surface relaxation –
Types of nanostructured materials - One dimensional (thin films, layers, coatings), Two
dimensional (Nanotubes, Nanofibers, Nanowires) and Three dimensional nanostructured
materials (Nano particles, Nano shells, Nano rings),-properties of nanomaterials - Mechanical
properties, Optical properties, Magnetic properties, electrical conductivity – electronic
properties – Engineered nanomaterials - Quantum dots, Buckyballs/nanotubes, Metal oxides,
Nano capsules.
UNIT II - SYNTHETIC METHODS OF NANOMATERIALS (12 Hours)
Top-down and bottom-up approaches– nucleation and growth -homogeneous nucleation and
heterogeneous nucleation-Synthesis of Nano particles by Physicalmethods-Mechanical
milling, Physical vapor deposition, Laser ablation, Sputter deposition, Photo lithography–
Chemical reductionmethod -Reduction of metal ions by Citrate and borohydride- capping
agents-role of capping agents, Polyol synthesis - Biological methods - green synthesis – Viral
nanotechnology.
UNIT III - NANO COMPOSITES (12 Hours)
Nanocomposites - Polymer-based Nanocomposites - Polyamide/clay Nano composites –
Synthesis, characterization and properties of Nylon 6 - clay hybrid - Polystyrene/clay
Nanocomposites – syndiotactic polystyrene/clay Nano composites, properties. Poly(butylenes
terephthalate) (PBT) based nano composites. Bio-Nanocomposites - properties and
applications.
 50

UNIT IV - CARBON NANOSTRUCTURES AND FUNCTIONALIZATION (12 Hours)

Carbon nanotube (CNT) and its Applications: Carbon nanotube (CNT), structure of CNT,
synthesis and functionalization of CNT, electronic, vibrational, mechanical and optical
properties of CNT, applications of CNT and Fullerenes.
Graphene: Graphene, structure of Graphene, synthesis and functionalization of Graphene,
electronic application of Graphene, Electrochemical deposition, Graphene Oxide and its
application.
UNIT V - BIOMEDICAL NANOTECHNOLOGY (12 Hours)
Nanomedicines - Diagnosis of diseases, treating and preventing of diseases – targeted drug
delivery systems – Tissue Engineering - scaffolds for tissue fabrications – materials for
scaffolds – materials for hydrogel scaffolds - Medical Devices - Imaging, implantable
sensors, cell specific gene therapy – nano robots and their bio-medical applications.
Dendrimers - structural description and its biomedical applications.

TEXT BOOKS
1. C.N.R. Rao, A. Muller and A.K. Cheetham, The Chemistry of Nanomaterials –
Synthesis, properties and Application, Wiley – VCH – verlog GMOH & Co.,
Wilhelm, 2004.
2. C.P.Poole Jr., and F.J. Owens, Introduction to Nanotechnology, John Wiley &Sons,
2006.
3. Rajendra Kumar Goyal, Nanomaterials and Nanocomposites: Synthesis, Properties,
Characterization Techniques, and Applications, First edition, CRC Press, 2018.
4. Joseph Koo, Polymer Nanocomposites, First Edition, McGraw-Hill, 2006.
5. Ahmet Gürses, Introduction to Polymer–Clay Nanocomposites, CRC Press, 2016.
6. Edited by Vinod Labhasetwar and Diandra L.Leslie-Pelecky, Biomedical Applications
of Nanotechnology, John Wiley & Sons, 2007.
7. Editor - Stergios Logothetidis, Nanomedicine and Nanobiotechnology, Springer,
2012.
REFERENCE BOOKS
1. G.L. Hornyak, J. Dutta, H.F. Tibbals and A.K. Rao, Introduction to Nanoscience,
CRC Press, Taylor & Francis Group, 2008.
2. Guozhong, Nanostructures and Nanomaterials: Synthesis, Properties and
Applications, Imperial College Press, 2004.
 51

3. Edited by Vikas Mittal, Synthesis Techniques for Polymer Nanocomposites, Wiley-

VCH, 2015.
4. Sati N. Bhattacharya, Musa R. Kamal and Rahul K. Gupta, Polymeric
Nanocomposites - Theory and Practice Hanser Gardner Publications, 2008.
5. Yury Gogotsi, Carbon Nanomaterials, CRC Press, First Edition, 2006.
6. Daniel Alfonso Melendrez Armada, John Edward Proctor and Aravind
Vijayaraghavan, An Introduction to graphene and carbon nanotubes, CRC Press,
2016.
7. K. Tanaka and S. Iijima, Carbon Nanotubes and Graphene, Elsevier, Second Edition,
2014.
8. Editor - M. Reza Mozafari, Nanomaterials and Nanosystems for Biomedical
Application, Springer, 2007.
9. Editor - Ajay Kumar Mishra, Nanomedicine for Drug Delivery and Therapeutics,
John Wiley & Sons, 2013.

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the unique properties and structure of nanomaterials. K2
CO2 Trace the different methods of synthesis of nanomaterials. K2
CO3 Acquire knowledge about polymer based nanocomposites and K2, K3
applications of bio- nanocomposites.
CO4 Evaluate the synthesis and potential applications of carbon nanotubes K5
and grapheme.
CO5 Apply nanotechnology in bio-medical field. K3

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M M L L S S S M S M L N L S S
CO2 S S S S L L S S S S S S M N M S S
CO3 S S S M L L S S S S S M M N M S S
CO4 M S S S L L S S S S S S M N M S S
CO5 S S S S L L S S S S S M M N M S S
 52

L T P C
ELECTIVE - II 2.2 MEDICINAL CHEMISTRY
4 0 0 4

Objectives:
 To introduce the mechanism of drug action, drug delivery systems and molecular
docking.
 To learn drug design and drug synthesis.
 To learn various types of drugs and their mode of action.

UNIT I - GENERAL ASPECTS OF MEDICINAL CHEMISTRY (12 Hours)

Medicinal chemistry - Definition and major processes involved in drug action –
pharmacokinetics - Definition and elementary aspects of ADME – Pharmacodynamics –
Definition - receptors and their structures - agonist and antagonist - concept of bioisosterism -
prodrugs and soft drugs. Drug delivery systems - Definition and types - Carrier based drug
delivery system, Transdermal drug delivery system, Mucoadhesive drug delivery system.
Molecular docking - Definition and types - Rigid docking (Lock and Key), Flexible docking
(Induced fit).
UNIT II: DRUG DESIGN (12 Hours)
Development of new drugs - Lead identification and optimization - Structure and Ligand
based drug design - Structure Activity Relationship (SAR) of morphine and Penicillin -
Physico – chemical parameters, Lipophilicity, partition coefficient, electronic ionization
constants - Quantitative Structure Activity Relationship. Free – Wilson analysis, Hansch
analysis, relationships between Free– Wilson and Hansch analysis – case study. Elementary
treatment of Drug receptor interactions.
UNIT III - ANTISEPTICS, ANTIBIOTICS AND CELL MEMBRANE (12 Hours)
Structure and function of bacterial cell wall, Gram-positive and Gram-negative bacteria,
comparison of bacterial and fungal cell wall - Microbe killers: Antiseptics and Disinfectants -
Definition and mode of action. Antibiotics - Definition, classification and uses - Structure and
mode of action of Bacitracin, Fosfomycin, Isoniazid, Ethambutol, β-Lactam antibiotics -
Synthesis of penicillin G, ampicillin, amoxicillin, Cephalosporin. Mutations and origins of
drug-resistance.
 53

UNIT IV - DRUG SYNTHESIS (12 Hours)

Definition, synthesis and mode of action of following classes (i) Anxiolytics –
Benzodiazepines (ii) Neuroleptics – Phenothiazines (iii) Hypnotics and Sedatives –
Piperidinediones (iv) Local anesthetics – Aminobenzoic acid and its derivatives (v) Anti –
coagulants – 1,3 – Indandione derivatives (vi) Hypoglycemic agents – Sulfonyl ureas (vii).
Antihistaminic agents – Ethylenediamine derivatives (viii) Antimalarials – Aminoquinolines
(ix) Analgesics and Antipyretics – Paracetamol, Phenylbutazone. (x) Anti – inflammatory –
Diclofenac.
UNIT V - ANTINEOPLASTIC AGENTS AND CARDIOVASCULAR DRUGS (12 Hours)
Antineoplastic Agents: Introduction, cancer chemotherapy, special problems, role of
alkylating agents and antimetabolites in treatment of cancer - Introduction of carcinolytic
antibiotics and mitotic inhibitors - Synthesis of mechlorethamine, cyclophosphamide,
melphalan, and uracil - Recent development in cancer chemotherapy.
Cardiovascular Drugs: Introduction and classification, cardiovascular diseases - Synthesis
of amyl nitrate, sorbitrate, diltiazem, quinidine, verapamil, methyldopa, atenolol.

TEXT BOOKS
1. Ashutosh Kar, Medicinal Chemistry, New Age International, fourth edition, 2007.
2. Graham L. Patrick, An Introduction to Medicinal Chemistry, Oxford University Press,
fifth edition, 2013.
3. Gareth Thomas, Fundamentals of Medicinal chemistry, Wiley-Blackwell, First
Edition, 2003.
4. D. Sriram and P. Yogeeswari, Medicinal Chemistry, Pearson India, second edition,
2010.
5. N. Weaver, Medicinal Chemistry, Oxford, 2006.
6. G.R. Chatwal, Medicinal Chemistry, Himalaya, New Delhi, 2002.
7. P. Graham, Instant Notes Medicinal Chemistry, Viva, New Delhi, 2002.
REFERENCE BOOKS
1. Thomas Lemke and David A. Williams, Foye's Principles of Medicinal Chemistry, 7th
edition, Lippincott Williams & Wilkins Pulications, 2012.
2. John M. Beale and John H. Block, Wilson and Gisvold's Textbook of Organic
Medicinal and Pharmaceutical Chemistry, 12th Edition, Lippincott Williams &
Wilkins Publications, 2010.
 54

3. Ruben Vardanyan and Victor Hruby, Synthesis of Essential Drugs, 1st edition Elsevier
Science, 2006.
4. Richard B. Silverman, The Organic Chemistry of Drug Design and Drug Action, 2nd
edition, Elsevier Academic Press, 2004.
5. Camille Georges Wermuth, David Aldous, Pierre Raboisson, and Didier Rognan, The
Practice of Medicinal Chemistry, 4th edition, Elsevier Academic Press, 2015.
6. T. J. Franklin and G. A. Snow, Biochemistry and Molecular Biology of Antibacterial
Drug Action, 5th edition, Springer Science, 1998.

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Categorize the drug delivery system and gain knowledge on molecular K4, K2
docking.
CO2 Acquire knowledge about structure activity relationship of drugs. K2
CO3 Explain the structure and functions of antiseptics, antibiotics and K2, K4
differentiate bacterial and fungal cell walls.
CO4 Illustrate the synthesis and mode of actions of some important drugs. K2

CO5 Create certain developments in cancer chemotherapy and K6

cardiovascular drugs.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S S S L L S S S S S M S N S S S
CO2 S S M M L L S S S S S S S N S S S
CO3 S S M M L L S S S M S M M N L S S
CO4 S S M S L L S S S M S S S N L S S
CO5 S S S S L L S S S S S M S N M S S
 55

L T P C
ELECTIVE - II 2.3 INDUSTRIAL PROCESSES AND CATALYSIS
4 0 0 4

Objectives:
 To learn unit operations and reverse osmosis in industrial plants.
 To study catalyst and homogeneous and heterogeneous catalysis in industries.
 To understand the environmental impact of chemical industries.
UNIT I – UNIT OPERATIONS (12 Hours)
Concepts of unit operation and unit process. Basic Unit operation – batch and continuous,
Distillation – azeotropic, steam and extractive distillation, Evaporation – single effect and
multiple effect, Extraction – liquid-liquid and solid – liquid extractions, Crystallization –
evaporative, cooling, precipitation and fractional crystallization. Size reduction and size
separation – definition and objectives, factors affecting size reduction, Law governing Energy
& Power requirements in comminution - size reduction equipment – ball mill, hammer mill
and fluid energy mill.
UNIT II – REVERSE OSMOSIS (12 Hours)
Principle of Reverse Osmosis, dead - end filtration, cross – flow filtration, Industrial
applications of reverse osmosis. Basic terms and definitions – recovery, rejection, flux,
concentration polarization, beta, fouling, scaling, silt density index, modified fouling index,
langelier saturation index. Membrane types and function – cellulose acetate membranes,
polyamide and composite membranes. Membrane modules – plate and frame modules,
tubular modules, spiral wound modules. Pretreatment of water – mechanical and chemical
pretreatments.
UNIT III – CATALYST AND CATALYSIS (12 Hours)
Catalyst – general features and industrial applications, Catalysis – homogeneous catalysis and
its limitations, heterogeneous catalysis – general kinetic behavior - chemisorption and active
sites - physical form and preparation of bulk and supported catalysts – catalytic deactivation
and reusability – advantages and operational modes of heterogeneous catalysis in industry.
UNIT IV – CATALYSIS IN PETROCHEMICAL INDUSTRY (12 Hours)
Overview of Petrochemical Industry and Refinery processes – importance of catalysis.
Catalytic selectivity – mesoporous materials and shape selectivity – zeolites and zeotypes –
zeolites in petrochemistry and refining – shape selective catalysis by zeolites – shape
selectivity in conversion of methanol to hydrocarbon – shape selectivity in hydrocracking –
shape selectivity in carbonylation.
 56

UNIT V – ENVIRONMENTAL IMPACT OF CHEMICAL INDUSTRIES (12 Hours)

Environment and human interactions, Sources of Pollution – Atmospheric pollution, Aquatic
pollution, land pollution, Control and treatment of pollution and wastes from industry –
Control of atmospheric discharges, control of aquatic discharges, disposal of solid wastes
from industrial sites. Hazards of the chemical industry – chemical exposure and toxicity –
control techniques used in chemical plants.

TEXT BOOKS
1. Alan Heaton, An Introduction to Industrial Chemistry, Springer, Third Edition, 1996.
2. M. Gopala Rao and Marshall Sittig, Dryden’s Outlines of Chemical Technology, East
– West Press, Third Edition, 1997.
3. Jane Kucera, Reverse Osmosis: Design, processes and applications, Scrivener
Publishing LLC and Wiley, Second Edition, 2015.
4. B.K Sharma, Industrial Chemistry, Goel Publishing House, Fifteenth Edition, 2006.
REFERENCE BOOKS
1. Editor – James A. Kent, Handbook of Industrial Chemistry and Biotechnology, Vol 1
&2, Springer, Twelfth Edition, 2012.
2. Editors - Lawrence K. Wang, Yung-Tse Hung, Howard H. Lo and Constantine
Yapijakis, Waste Treatment in the Process Industries, CRC Press, First Edition, 2006.
3. Editors - Adriano Zecchina, Silvia Bordiga and Elena Groppo, Selective
Nanocatalysts and Nanoscience, Wiley – VCH, 2011.
4. Editor – John Regalbuto, Catalyst Preparation: Science and Engineering, CRC Press,
2007.
 57

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Acquire knowledge on unit operations and unit process in industry. K2
CO2 Explain reverse osmosis and how to apply it in the pretreatment of K2, K3
water.
CO3 Distinguish homogeneous and heterogeneous catalysis and analyze the K4
advantages of heterogeneous catalysis in industry.
CO4 Evaluate the role of catalysis in petrochemical industry. K5

CO5 Save the environment from hazardous industrial chemical waste. K6

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S M M S L S S S S S L S N N S S
CO2 S S S S S L S S S S S L S N N S S
CO3 M S M S S L S S S S S S M N N S S
CO4 S S S S M L S S S S S S M N N S S
CO5 S S S S S L S S S M S S M N N S S
 58

L T P C
CORE 10 ORGANIC CHEMISTRY PRACTICAL - II
0 0 4 2

Objectives:
 To enable the students to develop analytical skill in organic quantitative
analysis.
 To understand the techniques involved in the preparation of standard solutions,
standardization and calculations in the estimations of compounds.
 To develop preparative skills in organic preparations.

Estimation, Single stage preparations and chromatographic techniques have been included
as the practical components.
Microscale preparations are recommended for the simple reasons, as they are both
economic-friendly and eco-friendly.
A. Estimation
1. Estimation of Ethyl Methyl ketone
2. Estimation of phenol
3. Estimation of aniline
4. Estimation of ascorbic acid in tablets

B. List of single stage preparations:

1. Preparation of 1,2,3,4 –tetrahydro carbazole from cyclohexanone.
2. Preparation of Resacetophenone from Resorcinol.
3. Preparation of p-benzoquinone from hydroquinone.
4. Preparation of Dibenzylidene acetone.
5. Preparation of anthraquinone from anthracene
6. Preparation of benzophenone oxime from benzophenone
7. Preparation of Benzilic acid from Benzil
8. Preparation of Bis-2- naphthol from 2-naphthol.
9. Prepartion of m-dinitrobenzene from Nitrobenzene.

Note: Each student is expected to submit both Crude and recrystallized samples of the
preparation during their regular practical for evaluation at the time of practical examinations.
 59

For Class work Only:

1. Isolation of carotene from carrot.
2. Isolation of casein from milk
3. Isolation of Citric acid from Citric fruits.

TEXT BOOKS
1. A.I. Vogel, Elementary Practical Organic Chemistry: Small Scale Preparations,
Qualitative Organic Analysis, Quantitative Organic Analysis, Pearson Education,
2011.
2. F.G. Mann and B.C. Saunders, Practical Organic Chemistry, 4th edn, Pearson
Education India, 2009.
3. K. Bansal Raj, Laboratory Manual of Organic Chemistry, New Age International,
2009.
4. V. Venkateswaran, R. Veeraswamy and A. R. Kulandaivelu, Basic Principles of
Practical Chemistry, Sultan Chand & Sons, 2004.
5. V.K. Ahluwalia, and R. Aggarwal, Comprehensive Practical Organic Chemistry,
Universities Press, 2004.
REFERENCE BOOKS
1. R.G. Engel, D.L. Pavia, G.M. Lampman and G.S. Kriz, A Microscale approach to
Organic Laboratory, 5th edition, Paperback – International Edition, 2012.
2. P.B. Cranwell, L.M. Harwood and C.J. Moody, Experimental Organic Chemistry,
3rd edn, Wiley-Blackwell, 2017.
3. J. Leonard, B. Lygo and G. Procter, Advanced Practical Organic Chemistry, 3rd edn,
CRC Press, 2013.
4. Moore, Dalrympk and Rodig, Experimental methods in organic chemistry, 3rd edition,
Saunders College publishing, The Oxford Press, 1982.
 60

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Develop the skills to estimate organic compounds K3

CO2 Estimate the amount of organic compound using quantitative organic K5

estimation methods
CO3 Illustrate various organic reactions and their utility in organic K2, K3
preparations.
CO4 Acquire the skills to isolate useful compounds from natural sources K3
CO5 Determine the physical properties of organic compounds K5

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S S S S M L S N N S S
CO2 M S S S S S S S S S M L S N N S S
CO3 M S M S S S S S S S M L S N N S S
CO4 S S S S S S S S S S M M S N N S S
CO5 M S M M S S S S S S M M M N N S S
 61

L T P C
CORE 11 INORGANIC CHEMISTRY PRACTICAL - II
0 0 4 2

Objectives:
 To understand the principles and various analytical methods of quantitative analysis
of cations present in a mixture.
 To improve the skill in quantitative estimation of metal ions by
complexometric titration.
 To understand the preparation and analysis of coordination complexes.

A. Quantitative Analysis of Cations by Complexometric Method.

1. Estimation of Cu (II) in a solution containing Pb (II) or Ba (II) (Separation of Pb (II)
or Ba(II) by Precipitation).
2. Estimation of Zn(II) in a solution containing Pb(II) or Ba(II) (Separation of Pb(II) or
Ba(II) by precipitation).
3. Estimation of Mg(II) in a solution containing Pb(II) or Ba(II) (Separation of Pb(II) or
Ba(II) by precipitation).
4. Estimation of Ca(II) in diet supplement pill.
5. Estimation of Pb and Sn in Solder alloy [ Demasking by F-].
B. Preparation and Analysis of Inorganic Complexes by Volumetric Method
1. Preparation and analysis of potassium tris(oxalato)ferrate(III) trihydrate
K3[Fe(C2O4)3].3H2O
2. Preparation and analysis of tris(thiourea)copper(I) sulphate dihydrate,
[Cu(tu)3]2SO4.2H2O
3. Preparation, and analysis of potassium tris(oxalato)chromate(III) trihydrate
K3[Cr(C2O4)3].3H2O
C. Photo colorimetric analysis of Fe and Ni (Course work)

TEXT BOOKS
1. G.H. Jeffery, J. Bassett, J. Mendham and R.C. Denney, Vogel’s Textbook of
Quantitative Chemical Analysis, Revised 5th edition, ELBS, 1989.
2. Douglas A. Skoog, Donald M. West, F. James Holler and Stanley R. Crouch,
th
Fundamentals of Analytical Chemistry, 8 Edition, Brooks/Cole-Thomson Learning,
USA, 2004.
 62

REFERENCE BOOKS
nd
1. I.M. Kolthoff and V.A. Stenger, Volumetric Analysis, 2 Edition, Interscience
Publishers, New York, 1947.
2. Mounir A. Malati, Experimental Inorganic/Physical Chemistry - An Investigative,
Integrated Approach to Practical Project Work, Woodhead Publishing Limited,
Reprint, 2010.
3. W. G. Palmer, Experimental Inorganic Chemistry, Cambridge University Press,
Reprint, 1970.
4. George Brauer, Handbook of Preparative Inorganic Chemistry, 2nd Edition, Academic
Press, 1963.
5. Geoffrey Pass and Haydn Sutcliffe, Practical Inorganic Chemistry - Preparations,
reactions and instrumental methods, Springer, 1974.
COURSE OUTCOMES (COs)
Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Describe the principles, techniques and skills related to quantitative K2
determination of ions in a mixture by complexometric titration.
CO2 Estimate one metal ion in presence of another metal ion by K5
complexometric method.
CO3 Estimate the amounts of components present in Solder alloy. K4, K5

CO4 Prepare and analyze the Inorganic complexes and estimate them by K6,K4,
volumetric methods. K5
CO5 Describe the basic principle of calorimetry and apply it for the K2,K3,
estimation of ions present in solution. K5

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S S S S M L M N N S S
CO2 M S S S S S S S S S M L M N N S S
CO3 S S S S S S S S S S M M M N N S S
CO4 M S S S S S S S S S M M M N N S S
CO5 M S S S S S S S S S M M M N N S S
 63

L T P C
CORE 12 PHYSICAL CHEMISTRY PRACTICAL - II
0 0 4 2

Objectives:
 To motivate the students to understand the principles of conductometric titrations and
Distribution law.
 To understand the Principles and applications of Thermometry.

I. Conductometric experiments
(a) Estimation of K2SO4 using BaCl2
(b) Estimation of CH3COOH and CH3COOONa in a Buffer solution.
(c) Neutralization and Displacement reactions
Standard: CH3COONa, Link: HCl Estimation: NaOH + CH3COONa
(d) Determination of Dissociation constant of a weak acid.
II. Distribution law
(a) Distribution of Iodine between two immiscible solvents & Study of the equilibrium
constant of the reaction KI + I2 →KI3
(b) Distribution of benzoic acid between two immiscible solvents.
III. Thermometry Determination of Solution enthalpy of
(i) Benzoic acid - water
(ii) Potassium dichromate - water
(iii) Potassium nitrate - water
TEXT BOOKS
1. J. B.Yadav, Advanced Practical Physical chemistry, 20th Edn., GOEL publishing
House, Krishna Pakashan Media, 2001.
2. B.C. Kosla, Senior Practical Physical Chemistry, Simla Printers, New Delhi, 1987.
3. Saroj Kumar and Naba Kumar, Physical Chemistry Practical, New Central Book
Agency, 2012.
REFERENCE BOOKS
1. Findlay’s Practical Physical Chemistry, Revised and edited by B.P. Levitt 9th Edn.,
Longman, London, 1985.
2. W.J. Popiel, Laboratory Manual of Physical Chemistry, ELBS, London, 1970.
3. G.W. Garland, J.W. Nibler and D.P. Shoemaker, Experiments in Physical Chemistry,
8th Edn. McGraw Hill, 2009.
 64

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the basic principles of conductometric titrations and determine K2, K5
the Dissociation constant of weak acids.
CO2 Illustrate the principles of distribution law and estimate the distribution K2, K5
of solute in two immiscible solvents.
CO3 Outline the basic principles of thermometry and determine the solution K2, K5
enthalpy of solute in solvent.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S S S S M L S N M S S
CO2 M S S S S S S S S S M L S N M S S
CO3 M S S S S S S S S S M L S N S S S
 65

SEMESTER III
L T P C
CORE 13 ORGANIC SPECTROSCOPY AND REARRANGEMENTS
5 0 0 4

Objectives:
 To study the concept of UV, IR, NMR spectroscopy, Mass spectrometry and their
applications in organic systems.
 To interpret the spectral data of organic molecules.
 To understand the mechanism of Rearrangement reactions.

UNIT I - ULTRAVIOLET, INFRA – RED SPECTROSCOPY, ORD AND CD (15 Hours)

UV-Visible: The absorption laws – Types of electronic transitions – effect of solvents and
Hydrogen bonding on max values. – Woodward – Fieser rules to calculate max values of
conjugated dienes and , - unsaturated ketones.
IR: Molecular Vibrations – Vibrational frequencies - Characteristic IR absorptions of
different functional groups – Fermi resonance and Finger print region - factors influencing
absorption of carbonyl and hydroxyl groups – electronic effect and effect of hydrogen
bonding.
ORD and CD: Optical rotatory dispersion (ORD): Cotton effect - Octant rule and axial -
halo ketone rule – Conformation and Configuration determination of simple systems -
Circular Dichroism.
UNIT II - NMR SPECTROSCOPY (15 Hours)
Nuclear spin – magnetic moment of a nucleus – nuclear energy levels in the presence of
magnetic field – relative populations of energy levels – macroscopic magnetization - Basic
Principle of NMR experiments – CW and FT NMR.
1
H NMR: Chemical shift - number of signals - Factors influencing proton chemical shift
(Electronegativity, Anisotropic effects and Vander walls’ deshielding) and vicinal proton -
Spin–spin coupling – proton coupling constants - Geminal, Vicinal and long range coupling
constants - 1H NMR spectrum of simple organic molecules such as CH3CH2Cl, CH3CHO etc.
- Classification of spin systems – First order and Second order spectra - analysis of AX,
AMX and ABX systems – spin decoupling – Nuclear Overhauser Effect – Chemical
exchange.
 66

13
C NMR: Principle of proton decoupled and OFF- resonance 13C NMR spectra - comparison
with 1H NMR – factors affecting 13
C chemical shifts – 13
C NMR spectra of simple organic
molecules (aliphatic, olefinic, alkynic, aromatic and carbonyl compounds).
UNIT III - MASS SPECTROMETRY (15 Hours)
Basic Principles– Base peak – molecular ion – nitrogen rule – metastable ions – isotopic peak
- daughter ions – Mc–Lafferty rearrangement – RDA – General rules for fragmentation
pattern – Fragmentation pattern of simple compounds of hydrocarbons, alcohols, amines,
aldehyde, ketone, ether, acids, phenols ,nitro compounds, alicyclic compounds .
Alternative electron impact ionization technique – CI, FAB, ESI – MS, MALDI –MS,
MALDI-TOF, ICP- MS.
UNIT IV - 2D NMR AND INTERPRETATION OF SPECTRUM (15 Hours)
2D NMR spectroscopy: H1–H1COSY, H1–C13 COSY, NOESY, DEPT and
INADEQUATE spectra.
Applications of combined spectroscopic techniques in elucidating the structure of organic
molecules – One conjunction problem based on UV, IR, H1 NMR, 13C NMR and Mass
spectroscopic techniques is compulsory under section – C. Problems shall be based on the
reference books.
UNIT V - REARRANGEMENT REACTIONS (15 Hours)
Types of rearrangements: Nucleophilic, electrophilic and free radical and protrophic
reactions.
Mechanism: Nature of migration – migrating aptitude and memory effects, ring enlargement
and ring contraction rearrangements.
Reactions: Carbon to carbon migration: Pinacol – Pinacolone, Benzil – Benzilic acid,
Arndt – Eistert synthesis, Demjanov and dienone-phenol rearrangements.
Carbon to oxygen migration – Brook, Cumene Hydro-peroxide and Dakin rearrangements.
Carbon to Nitrogen migration – Lossen, Neber and curtius rearrangements.
Miscellaneous: Von – Richter and Sommelet-Hauser rearrangements.
 67

TEXT BOOKS
1. William Kemp, Organic Spectroscopy, Third Edition, MacMillan, Indian edition,
2019.
2. R.M. Silverstein, F.X. Webster and K.J. Kiemle, Spectrometric identification of
organic compounds,John Wiley and Sons, Inc., 2005.
3. L.D. S. Yadav, , Organic Spectroscopy, Springer, 2005.
4. L.D. Field, S. Sternhell and J.R. Kalman, Organic Structures from Spectra, 4th
edition, John Wiley and Sons, 2007.
5. Karen-Feinstein, Guide to Spectroscopic Identification of Organic compounds, 1st
edition, CRC Press, 1994.
6. B.P.Mundy, M.G.Ellerd and F.G.Favaloro, Name Reactions and Reagents in
OrganicSynthesis, 2nd Ed., 2005.
7. Dr Jagdamba Singh & Dr. L.D.S Yadav, Orgnic Synthesis: Design, Reagents,
Reactions and Rearrngements, A Pragati Second Revised Edition, 2007.
8. Raj K. Bansal, Organic Reaction mechanisms, Tata Mc Graw Hill, Third Editon,
2007.
9. A. Hassner & I. Namboothiri. Organic Syntheses Based Name Reactions, Elsevier,
2012.
10. Sanyal & Sanyal, Reactions, Rearrangements and Reagents, 4th edition, Bharati
Bhawan Publishers and Distributors, 2003.
REFERENCE BOOKS
1. R.M. Silverstein, F.X. Webster, K.J. Kiemle and D.L. Bryce, Spectrometric
identification of organic compounds, 8th edition Wiley Publications, 2014.
2. Ian Fleming and Dudley Williams, Spectroscopic methods in organic chemistry, 7th
edition, Springer Publications, 2019.
3. William Kemp, Organic Spectroscopy, Third Edition, MacMillan, 1994.
4. E. Pretsch, P. Buhlmann and M. Badertscher, Structure Determination of Organic
Compounds: Tables of Spectral Data, 4th revised and enlarged edition, Springer
Publications, 2009.
5. F. A. Carey and R.J. Sundberg, Advanced Organic Chemistry, Part B: Reaction and
Synthesis, 5th edition, Springer, 2007.
6. W. Carruthers, and I. Coldham, Modern Methods of Organic Synthesis, 4th edn,
Cambridge University Press, 2015.
 68

7. L. Kurti a n d B. Czako, Strategic Applications of Named Reactions in Organic

Synthesis, Elsevier 2005.
COURSE OUTCOMES (COs)
Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Describe the basic principles of UV, IR, ORD and CD, and the K2, K3,
applications of UV-Visible spectroscopy, IR spectroscopy, ORD K4
and CD in structural elucidation of organic compounds.
CO2 Interpret the 1H NMR and 13C NMR spectral data to elucidate the K2, K3,
structure of organic compounds. K4
CO3 Explain the fragmentation pattern in Mass spectrometry and use K3, K2
them in structural elucidation.
CO4 Interpret the 2D NMR spectrum and solve structure related K2, K3
problems
CO5 Illustrate the types and mechanisms of the prescribed rearrangement K2, K3
reactions and their applications in Organic synthesis.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S L L S S S S M L S N M S S
CO2 M S S S L L S S S S M L S N M S S
CO3 M S S M L L S S S S M L S N M S S
CO4 M S S S L L S S S S M L S N M S S
CO5 M S S M L L S S S S M S S N L S S
 69

SPECTRAL METHODS-I, ORGANO METALLIC AND L T P C

CORE 14
ANALYTICAL METHODS 5 0 0 4

Objectives:
 To study the applications of electronic and photo electronic spectroscopic techniques
in coordination compounds.
 To study the applications of ORD and CD to determine absolute configuration of
chelate complexes.
 To introduce organometallic compounds and to study their catalytic applications in
homogeneous and heterogeneous systems.
 To understand the basic principles and applications of thermo and spectro analytical
techniques.

UNIT I - ELECTRONIC SPECTROSCOPY, ORD AND CD (15 Hours)

Electronic spectroscopy: Selection rules for electronic transitions - Hole formalism - LS
Coupling and determination of term symbols – Hund’s Rules - Splitting of terms – Orgel and
Tanabe Sugano diagrams – Electronic spectra of Istrow transition metal complexes -
Evaluation of 10 Dq, β and B' for octahedral d2 and d8 systems. Charge transfer spectra –
types – Effect of solvent polarity on CT spectra - Effect of tetragonal distortion and spin -
orbit coupling on spectra – Electronic spectra of lanthanide and actinide complexes.
ORD and CD - Optical isomerism in octahedral complexes – absolute configuration of
chelate complexes from ORD and CD.
UNIT II - PHOTO ELECTRON SPECTROSCOPY (15 Hours)
Theory – types of PES – origin of fine structures – adiabatic and vertical transitions – PE
spectra of homonuclear diatomic molecules (N2, O2) – hetero nuclear diatomic molecule
(CO) – polyatomic molecules (H2O, NH3) - Koopman’s theorem – application and limitation
of the theorem. XPS (ESCA): structure of N3− ion, N (1s) spectrum of [Co(en)2(NO)2]NO3,
C(1s) spectrum of C2H5COOCF3. Shake-up and shake-off processes – Structural and bonding
information in metal carbonyls – Auger electron spectroscopy.
UNIT III - ORGANOMETALLIC CHEMISTRY–I (15 Hours)
The 18 e− and 16 e− rules and its correlation to stability – Synthesis, structures and bonding of
metal carbonyls, metal nitrosyls and dinitrogen complexes – Identifications of bridging and
 70

terminal CO groups by IR – Structure of Mononuclear, dinuclear [Mn2(CO)10, Co2(CO)8,

Fe2(CO)9], Trinuclear [M3(CO)12 (M = Fe, Ru, Os)] and Tetranuclear [M4(CO)12 (M = Co,
Rh, Ir)] Carbonyls. Synthesis, properties and structural features of metal complexes with
alkene, alkyne and allyl systems. Metallocenes – synthesis, properties, structure and bonding
with particular reference to ferrocene and berryllocene – covalent versus ionic bonding in
beryllocene.
UNIT IV - ORGANOMETALLIC CHEMISTRY–II (15 Hours)
Organometallic compounds as catalysts and the requirements: Agostic interaction –
Oxidative addition and reductive elimination - insertion and elimination reactions –
nucleophilic and electrophilic attack of coordinating ligands.
Homogeneous catalysis: Wilkinson’s catalyst and hydrogenation reactions, Tolman catalytic
loop; hydroformylation (oxo) reaction, Wacker and Monsanto acetic acid processes.
Heterogeneous catalysis: synthesis gas and water gas shift reactions; Fischer Tropsch
process and synthetic gasoline, Ziegler-Natta polymerization and mechanism of stereoregular
polymer synthesis.
Hybrid Catalysis: Cluster compounds in catalysis, polymer-supported and phase-transfer
catalysis-biphasic-systems.
UNIT V - THERMOANALYTICAL AND SPECTROANALYTICAL METHODS (15Hours)
Theory and principles of thermogravimetric analysis, differential thermal analysis and
differential scanning colorimetry – characteristic features of TGA and DTA curves – factors
affecting TGA and DTA curves – complementary nature of TGA and DTA – applications of
thermal methods in analytical chemistry – thermometric titrations – the study of minerals and
metal compounds. Principle and applications of spectrophotometry, spectrofluorimetry,
atomic absorption spectroscopy and atomic emission spectroscopy based on plasma sources.

TEXT BOOKS
1. James E. Huheey, Ellen A. Keiter and Richard L. Keiter, Inorganic chemistry:
principles Structure and Reactivity, 4th Edition, Pearson Education, 2006.
2. D.F. Shriver, P.W. Atkins and C.H. Langford, Inorganic Chemistry, ELBS, Oxford
University Press, 1994.
3. B.K.Sharma, Instrumental Methods of Chemical Analysis, Meerut Krishna Prakashan,
2012.
4. P. Powell, Principles of Organometallic Chemistry, 2nd edition, Springer, 1998.
5. D.N. Satyanarayana, Electronic Absorption Spectroscopy, University Press, 2000.
 71

6. P. Atkins, T. Overton, J. Rourke, M. Weller and F.Armstrong, Inorganic Chemistry,

5th edition, Oxford University press, 2010.
7. Russell S. Drago, Physical Methods in Inorganic Chemistry, Chapman and Hall,
London, 1965.
8. Russell S. Drago, Physical Methods for Chemists, Surfside Scientific Publishers, 2nd
Edition, 1977.
9. E.A.V. Ebsworth, David W.H. Rankin and Stephen Credock, Structural Methods in
Inorganic Chemistry, ELBS, 1988.
10. B.P. Lever, Inorganic Electronic Spectroscopy, 2nd Sub Edition, Elseveir Science,
1986.
REFERENCE BOOKS
1. C. Elschenbroich and A. Salzer, Organometallics – A Concise Introduction, 2nd
Edition, VCH Publication, 1992.
2. R. C. Mehrotra and A. Singh, Organometallic Chemistry: A Unified Approach, 2nd
Edition, New Age International Publishers, 2005.
3. B.D.Gupta and A.J. Elias, Basic Organometallic Chemistry: Concepts, Synthesis and
Applications of Transition Metals , 1st edition , University Press, CRC Press, 2010.
4. R.H.Crabtree, Organometallic Chemistry of the Tranistion Metals, Wiley, Newyork,
1988.
5. D.A. Skoog, F.J. Holler and T.A. Nieman, Principles of Instrumental Analysis,
Saunders, 1992.
6. D.A. Skoog, D. M. West, F.J. Holler and S.R. Grouch, Fundamentals of Analytical
Chemistry, Thomson Asia, 8th Edition, Third Reprint, 2005.
7. H.H. Willard, L.L. Merritt and J.A. Dean, Instrumental Methods of Analysis, CBS
Publishers, 6th Edition, 1986.
8. F. Albert Cotton, Geoffrey Wilkinson, Carlos A. Marilo and Manfred Bochman,
Advanced Inorganic Chemistry, Wiley Interscience Publication, 6th Edition, Reprint,
2012.
 72

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Describe the principles and applications of electronic and photo K2, K3
electronic spectroscopic techniques in coordination compounds.
CO2 Determine absolute configuration of chelate complexes by applying K3, K4,
ORD and CD. K5
CO3 Recall the EAN rule and explain the 18 & 16 electron rules to K1, K2,
determine the stability of complexes. K4
CO4 Classify terminal and bridging carbonyl groups in metal carbonyls K4
using IR spectra.
CO5 Categorize the different types of organometallic catalysts and explain K4, K2,
their applications. K3
CO6 Describe the principles and applications of thermo analytical K2, K3,
techniques and determine the stability of complexes. K4, K5

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S M L L S S S S M L M N L S S
CO2 M S S M L L S S S S M L M N L S S
CO3 L S M L L L S S S S M L M N M S S
CO4 M S M M L L S S S M M M M N M S S
CO5 M S S M L L S S S S M S M N L S S
CO6 M S S S L L S S S S M M M N M S S
 73

L T P C
CORE 15 GROUP THEORY AND CHEMICAL THERMODYNAMICS
4 0 0 4

Objectives:
 To understand the basic concepts of group theory.
 To understand the inter linking of quantum chemistry and group theory.
 To explain various concepts of thermodynamics.
 To apply the concepts of statistical thermodynamics for the study of equilibrium
reactions and reaction rates.
 To understand the inter linking of quantum chemistry and statistical thermodynamics.

UNIT I - GROUP THEORY-I (12 hours)

Symmetry elements and operations - Group Postulates and types of groups. Identification of
Point groups of molecules and Schoenflies symbols. Construction of multiplication table for
C2v, C3v and C2h. Sub-groups and classes of symmetry operations. Rule of similarity
transformations. Matrix representations of symmetry operations. Use of atomic wave
functions as bases for point group representations. Reducible and irreducible representations.
The Great Orthogonality theorem. Properties of Reducible and irreducible representations.
Construction of character tables for C2v, C3v, C4v, C2h and D2 point groups by using the Great
Orthogonality theorem.
UNIT II - GROUP THEORY-II (12 hours)
Standard Reduction Formula -Vibrational modes as bases for group representations-Normal
mode analysis for non linear molecules H2O, POCl3, trans-N2F2 and PtCl4. Symmetry
selection rules for infrared and Raman spectra. Mutual exclusion principle. Determination of
Hybridisation of atomic orbitals in non-linear molecules (CH4, XeF4, and PF5). Electronic
spectra of ethylene and formaldehyde molecules. Construction of Projection operators and
Molecular orbitals by Symmetry Adapted Linear Combinations. Simplification of HMO
calculations using group theory. Calculation of delocalization energy for ethylene, trans-1,3-
butadiene and benzene systems.
UNIT III - CHEMICAL THERMODYNAMICS (12 hours)
A general review of enthalpy, entropy and free energy concepts. Maxwell relations. Genesis
of third law and its limitations - Thermodynamics of systems of variable compositions -
partial molar quantities and their determination - chemical potential - Gibbs-Duhem equation
- Duhem-Margules equation - Fugacity and its determinations - choice of state - Activity and
 74

activity coefficients - electrolytes and non-electrolytes. Determination of activity and activity

coefficients for electrolytes and non-electrolytes. Excess Thermodynamic functions.
UNIT IV - STATISTICAL THERMODYNAMICS (12 hours)
Thermodynamic probability and most probable distribution - Ensemble averaging, postulates
of ensemble averaging, Canonical, Grand canonical and microcanonical ensembles. Maxwell-
Boltzmann statistics – Partition functions – thermodynamic properties from partition function
- translational, rotational, vibrational and electronic partition functions. Partition function and
equilibrium constant. Quantum statistics - Fermi-Dirac and Bose-Einstein statistics - photon
gas and electron gas. Heat capacities of diatomic gases. Einstein and Debye’s theory of heat
capacity of solids - population inversion - negative Kelvin temperature.
UNIT V - IRREVERSIBLE THERMODYNAMIC PROCESSES (12 hours)
Affinities and fluxes, reversible and irreversible processes, entropy production for some
important irreversible processes, entropy flow due to exchange of matter and energy, entropy
changes due to chemical reaction, affinity and coupling of chemical reaction, the
phenomenological laws and equations and their applications in chemistry - Onsager
reciprocal relations- validity and verification. Thermoelectric phenomena - Electro kinetic
and thermo mechanical effects. Application of irreversible thermodynamics to biological and
non-linear systems.

TEXT BOOKS
1. F.A. Cotton, Chemical Applications of Group Theory, 3rd Edn., Wiley, 2008.
2. G. Davidson, Introductory Group Theory for Chemists, Elsevier, 1971.
3. K.V. Raman, Group Theory and its applications to Chemistry, 3rd Edn., Tata Mc
Graw- Hill Publishing Company, 1990.
4. M. S. Gopinathan and V. Ramakrishnan, Group Theory in chemistry, 2nd Edn., Vishal
Publication, 2013.
5. K.V. Reddy, Symmetry and Spectroscopy of molecules, New Age International, 2007.
6. P.K. Bhattacharya, Group Theory and its Chemical Applications, Himalaya
Publishing House, 2010.
7. K. Rajaram and J.C. Kuriacose, Thermodynamics For Students of Chemistry, 2nd
Edition, S.L.N. Chand and Co, Jalandhar, 1986.

8. M.C. Gupta, Statistical Thermodynamics, New Age International, New Delhi, 1995.
 75

REFERENCE BOOKS
1. R.L. Carter, Molecular Symmetry and Group Theory, Wiley, 1997.
2. R.L. Flurry, Symmetry Groups: Theory and Chemical Applications, Prentice Hall,
1980.
3. I.M.Klotz and R.M. Rosenberg, Chemical thermodynamics, 6th edition,
W.A.Benjamin Publishers, California, 1972.
4. Lee, Sears and Turcotte, Statistical Thermodynamics, 2nd edition, Addison Wesley,
1973.
5. P.A.Rock, Chemical Thermodynamics, Oxford University press, 1983.
6. W.J. Morre, Physical Chemistry, 5th edition, Orient Longman, 1976.
7. G.W. Castellan, Physical Chemistry, 3rd edition, Addison Wesley, 1983.

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the basic concepts of group theory and construct character K2, K3
tables for various point groups.
CO2 Analyze the symmetry of molecules and apply the group theory into K4, K3
spectroscopy and hybridizations.
CO3 Illustrate the relationship between group theory and quantum K2
mechanics.
CO4 Summarize the concepts of statistical thermodynamics and the K2
interlinking between the quantum mechanics and thermodynamics.
CO5 Explain the irreversible thermodynamic processes and apply to K2, K3
biological and non-linear systems.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M S L L S S S M M L S N M S S
CO2 M S S S L L S S S M M L S N S S S
CO3 M S M M L L S S S M M L M N S S S
CO4 M S S M L L S S S M M L M N M S S
CO5 M S S S L L S S S M M L S N S S S
 76

L T P C
CORE 16 SCIENTIFIC RESEARCH METHODOLOGY
4 0 0 4

Objectives:
 To introduce scientific research and to learn the survey for literature, chemical
abstract, choosing a research problem, scientific writing of research articles,
presentations and research proposal and funding agencies.
 To learn Plagiarism and Intellectual Property Rights.
 To introduce the basic principles, working and applications of Instrumental
techniques like Surface Probe Microscopy.

UNIT I - INTRODUCTION TO SCIENTIFIC RESEARCH (12 Hours)

Objectives of research – Types of research – Significance of research. Research methods
versus methodology – Research and scientific method – Criteria of good research – Problems
encountered by researchers in India.
Problem selection – Selection of research problem, sources of research problems,
criteria/characteristics of a good research problem, errors in selecting a research problem -
project proposal – funding agencies.
UNIT II - LITERATURE SURVEY (12 Hours)
Sources of information, Primary, Secondary, Tertiary sources, Journals, Journal
abbreviations, Abstracts – Beilstein - Compendia and tables of information – Reviews –
Current titles – Textbooks – Current contents - General treatises – Monographs and treatises
on specific areas - Literature search – Information about a specific compound – Science
citation index – Box to locate journals.
Introduction to Chemical Abstracts. Online searching, Database, Scifinder, Scopus, Citation
Index, Impact Factor.
UNIT III - WRITING OF RESEARCH REPORT (12 Hours)
Format of the research report - style of writing the report - references and bibliography.
Research paper writing: Types of research papers – Structure of research papers – Research
paper formats - Different formats for referencing – ways of communicating research paper –
organizing a poster display, giving an oral presentation in seminars/conferences - Making
effective presentations using Power Point and Beamer.
Research Proposal: Format of research proposal, individual research proposal and
institutional proposal.
 77

UNIT IV - PLAGIARISM AND INTELLECTUAL PROPERTY RIGHTS (12 Hours)

Plagiarism - Introduction, Reason for plagiarism, Types of plagiarism - Plagiarism of words,
Patchwork plagiarism, Self-plagiarism, Cyber and Digital plagiarism, Accidental plagiarism,
Plagiarism of Authorship, Plagiarism of Ideas. Plagiarism policies - IEEE, Springer, Elsevier.
Software used for identifying plagiarism. Techniques to avoid plagiarism - Referencing,
Paraphrasing, Creative Common License.
Intellectual Property Rights - Introduction. Difference between Industrial Property and
Intellectual Property, Significance of Intellectual Property Rights. Forms of IPR - Patents,
Copyright, Trademarks, Collective marks, Industrial Design, Integrated Circuit, Geographical
Indication. Valuation of IPR, IPR and licensing.
UNIT V - ADVANCED INSTRUMENTAL TECHNIQUES (12 Hours)
Principles, techniques and applications:
Surface probe microscopy: Atomic force microscopy, Scanning tunnelling microscopy,
Scanning electron microscopy, Transmission electron microscopy, HRTEM, Energy
Dispersive X-ray analysis (EDX), X-ray photo electron spectroscopy. X-ray diffraction
techniques - Powder and single crystal XRD, principle, techniques and applications.

TEXT BOOKS
1. Dr.C.R. Kothari, Research Methodology: Methods and Techniques, New Age
International Publishers, 2nd Edition, New Delhi. 2014.
2. Ranjit kumar, Research Methodology: A Step by Step Guide for Beginners, Pearson
Education; 2nd Edition, 2005.
3. Tanmoy Chakraborty and Lalita Ledwani, Research Methodology in Chemical
Sciences: Experimental and Theoretical Approach, Apple Academic Press; 1st
Edition, 2016.
4. Dr. N. Arumugam, Research Methodology, Saras Publication, First Edition, 2016.
5. Vinayak Bairagi and Mousami V. Munot, Research Methodology - A Practical and
Scientific approach, CRC Press, 2019.
6. R. Gopalan, P. S. Subramanian and K. Rengarajan, Elements of Analytical Chemistry,
Sultan Chand and Sons, New Delhi, 2005.
7. S. M. Khopkar, Basic concepts of analytical chemistry, New age international, third
edition 2008.
8. Douglas A. Skoog, Donald M. West, F. James Holler and Stanley R. Crouch,
Fundamentals of Analytical Chemistry, ninth edition, 2013.
 78

9. Gary D. Christian, Purnendu K. Dasgupta and Kevin A. Schug, Analytical Chemistry,

John Wiley & Sons, seventh edition, 2013.
10. G.R. Chatwal and S.K. Anand, Instrumental Method of Chemical Analysis, Himalaya
Publishing house, fifth Reprint, 2016.
REFERENCE BOOKS
1. M.D. Barbara Gastel and Robert A. Day, How to Write and Publish a Scientific
Paper, Greenwood Publishing Group Inc, 8th Edition, 2016.
2. R. Gopalan, Thesis writing, Vijay Nicole Imprints, 2005.
3. D.G Peters, J.M. Hayes and G.M. Hefige, A brief introduction to Modern chemical
analysis, Saunders, 1976.
4. R.A Day and A.L. Underwood, Quantitative analysis, Prentice Hall, 1999.
5. D.A. Skoog, F.J. Holler and T.A. Nieman, Principles of Instrumental Analysis, 5th
Edition, Bangalore, 2005.
6. Anthony R. West, Solid state chemistry and its applications, second edition, student
edition, Wiley and sons, 2014.
COURSE OUTCOMES (COs)
On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Select research problem and various funding agencies. K2
CO2 Write the research report and make effective presentations. K3
CO3 Apply software for identifying plagiarism. K3

CO4 Describe the forms of IPR and its significance. K2, K3

CO5 Describe the surface probe microscopic techniques to analyze the K2, K4
sample surfaces.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S S S L S S S M S S L S L S S S
CO2 M S M M L S S S M S S L S L S S S
CO3 M S M S L S S S M S S L S S S S S
CO4 S S M M L M S S L S S L M S M S S
CO5 M S S S L L S S S S S L S L M S S
 79

L T P C
CORE 17 ORGANIC CHEMISTRY PRACTICAL - III
0 0 4 2

Objectives:
 To enable the student to develop analytical skill in organic quantitative
analysis.
 To enable the students to understand the mechanism involved in t w o stage
organic preparations.

Estimations and two stage preparations comprising oxidation, bromination, nitration,

hydrolysis, dehydration, diazotisation, coupling and photochemical reactions have been
included as the practical components.
Microscale preparations are recommended for the simple reason, as they are both
economic-friendly and eco-friendly.
A. List of Estimations
1. Glucose - Lane - Eynon and method
2. Glucose - Bertrand’s method
3. Purity of Glucose
4. Determination of Percentage purity in an unsaturated acid.

B. List of Two stage preparations

1. Benzaldehyde Benzoic acid m-nitrobenzoic acid

2. Acetanilide p-bromoacetanilide p-bromoaniline

3. Acetanilide p-nitroacetanilide p-nitroaniline

4. Methyl Benzoate m-nitro methylbenzoate m-nitrobenzoic acid

5. Benzophenone Benzpinacol Benzpinacolone

6. Benzophenone Benzophenone oxime Benzanilide

7. Phthalic acid Phthalic anhydride Phthalimide

8. Aniline Tribromoaniline sym-tribromobenzene

9. Aniline Diazoaminobenzene p-aminoazobenzene

Students are expected to submit the recrystallised samples of the final products, at the time of
practical examination, for evaluation by the examiners.
 80

TEXT BOOKS
1. A.I. Vogel, Elementary Practical Organic Chemistry: Small Scale Preparations,
Qualitative Organic Analysis, Quantitative Organic Analysis, Pearson Education,
2011.
2. F.G. Mann and B.C. Saunders, Practical Organic Chemistry, 4th edn, Pearson
Education India, 2009.
3. V.K. Ahluwalia, and R. Aggarwal, Comprehensive Practical Organic Chemistry,
Universities Press, 2004.
4. Raj K. Bansal, Laboratory Manual of Organic Chemistry, Second Edition, Wiley
Eastern, 1990.
REFERENCE BOOKS
1. R.G. Engel, D.L. Pavia, G.M. Lampman and G.S. Kriz, A Microscale approach to
Organic Laboratory, 5th edition, Paperback – International Edition, 2012.
2. P.B. Cranwell, L.M. Harwood and C.J. Moody, Experimental Organic Chemistry,
3rd edn, Wiley-Blackwell, 2017.
3. J. Leonard, B. Lygo and G. Procter, Advanced Practical Organic Chemistry, 3rd edn,
CRC Press, 2013.
4. Moore, Dalrympk and Rodig, Experimental methods in organic chemistry, 3rd edition,
Saunders College publishing, The Oxford Press, 1982.

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Estimate the amount of organic compounds using quantitative organic K5
estimation methods
CO2 Develop the skills to handle corrosive and toxic chemicals in organic K3
preparations.
CO3 Categorize organic reactions and their mechanisms relevant to organic K4
preparations.
CO4 Carry out microscale organic preparations K3, K6
CO5 Determine the physical properties of organic compounds K5
 81

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S S S S M L M N N S S
CO2 M S M S S S S S S S M S M N N S S
CO3 M S M S S S S S S S M S M N N S S
CO4 M S S M S S S S S S M M M N N S S
CO5 M S M L S S S S S S M M M N N S S
 82

L T P C
CORE 18 INORGANIC CHEMISTRY PRACTICAL - III
0 0 4 2

Objectives:
 To identify the methodology to separate and estimate mixture of metal
ions quantitatively.
 To understand the principles for volumetric and gravimetric methods of estimation of
cations present in a mixture.

I. Quantitative estimation of a mixture containing two or three metal ions (Volumetric

and Gravimetric Estimations)
1. Estimation of mixture of Cu2+(V) and Ni2+(G)ions.
2. Estimation of mixture of Fe2+(V)and Cu2+(G)ions.
3. Estimation of mixture of Fe2+(V) and Ni2+(G)ions.
4. Estimation of Cu2+ (V), Ba2+ (G) and Ca2+ (G) ions in a mixture.
5. Estimation of Cu2+ (V), Ba2+ (G) and Zn2+ (G) ions in a mixture.
6. Estimation of Fe2+ (V), Cu2+ (G) and Ni2+ (G) ions in a mixture.

II. Analysis of ores and alloys (coursework)

TEXT BOOKS
1. Mounir A. Malati, Experimental Inorganic/Physical Chemistry - An Investigative,
Integrated Approach to Practical Project Work, Woodhead Publishing Limited,
Reprint, 2010.
2. G.H. Jeffery, J. Bassett, J. Mendham and R.C. Denney, Vogel’s Textbook of
Quantitative Chemical Analysis, Revised 5th edition, ELBS, 1989.
3. Douglas A. Skoog, Donald M. West, F. James Holler and Stanley R. Crouch,
th
Fundamentals of Analytical Chemistry, 8 Edition, Brooks/Cole-Thomson Learning,
USA, 2004.
REFERENCE BOOKS
nd
1. I.M. Kolthoff and V.A. Stenger, Volumetric Analysis, 2 Edition, Interscience
Publishers, New York, 1947.
2. W. G. Palmer, Experimental Inorganic Chemistry, Cambridge University Press,
Reprint, 1970.
 83

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Describe the concept of volumetric and Gravimetric analysis. K2
CO2 Explain the principles for volumetric and gravimetric methods of K2, K3
estimation of cations present in a mixture.
CO3 Separate and estimate mixture of metal ions quantitatively. K4, K5

CO4 Analyze and estimate the contents of Ores and Alloys. K4, K5

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 L S M M S M S S S M M L S N N S S
CO2 M S S M S M S S S M M L M N N S S
CO3 M S S S S S S S S S M M S N N S S
CO4 S S S S S S S S S S M M S N N S S
 84

L T P C
CORE 19 PHYSICAL CHEMISTRY PRACTICAL - III
0 0 4 2

Objectives:
 To learn and apply the Principles of Potentiometric Titrations.
 To understand the Principles and applications of Kinetics and Adsorption.

I. Potentiometric Titrations
(a) Acid alkali titrations.
(b) Determination of dissociation constant of weak acids
(c) Determination of pH of buffer Potentiometrically
(d) Redox Titrations
(i) Fe2+ vs Ce4+
(ii) Fe2+ vs Cr2O72-
(iii) Fe2+ vs KMnO4
-
(iv) I vs KMnO4
(e) Precipitation Titrations
(i) Mixture of Cl-& I- vs Ag+
(f) Solubility Product: Determination of solubility product of sparingly soluble silver salts.
II. Kinetics: Study of Kinetics of KI - K2S2O8 system
III. Adsorption:
(a) Freundlich Adsorption isotherm:
(i) Adsorption of oxalic acid on charcoal.
(ii) Adsorption of acetic acid on charcoal.
(b) Langmuir Adsorption isotherm:
(i) Adsorption of oxalic acid on charcoal.
(ii) Adsorption of acetic acid on charcoal.
TEXT BOOKS
1. J. B.Yadav, Advanced Practical Physical chemistry, 20th Edn., GOEL publishing
House, Krishna Pakashan Media, 2001.
2. B.C. Kosla, Senior Practical Physical Chemistry, Simla Printers, New Delhi, 1987.
3. R.C. Das and B. Behra, Experimental Physical Chemistry, Tata McGraw Hill, New
Delhi, 1983.
4. Saroj Kumar and Naba Kumar, Physical Chemistry Practical, New Central Book
Agency, 2012.
 85

REFERENCE BOOKS
1. Findlay’s Practical Physical Chemistry, Revised and edited by B.P. Levitt 9th Edn.,
Longman, London, 1985.
2. W.J. Popiel, Laboratory Manual of Physical Chemistry, ELBS, London, 1970.
3. G.W. Garland, J.W. Nibler and D.P. Shoemaker, Experiments in Physical Chemistry,
8th Edn. McGraw Hill, 2009.

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain the principles of potentiometric titrations and apply for various K2, K3,
reactions such as neutralization, redox and precipitation reactions. K5
CO2 Determine the Dissociation constant of weak acids, pH of buffer and K5
solubility product of sparingly soluble salts potentiometrically.
CO3 Describe the principles of chemical kinetics and study the kinetics of a K2, K3,
system. K4
CO4 Illustrate the principles of adsorption process and carry out K2, K3,
experiments to find out whether a particular adsorption process is K4
Freundlich or Langmuir Adsorption isotherm.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S M S S S S S S M L M N L S S
CO2 M S M S S S S S S S M L M N L S S
CO3 L S M M S S S S S S M L M N L S S
CO4 M S M S S S S S S S M L S N S S S
 86

SEMESTER IV
L T P C
CORE 20 SYNTHETIC STRATEGIES IN ORGANIC CHEMISTRY
5 0 0 4

Objectives:
 To study selected name reactions and synthetic utility of important organic reagents.
 To understand the concept of retrosynthesis and the terms involved, about one group
and two group disconnections and protection and deprotection of important
functional groups.
 To study about Steroids, Vitamins and Terpenoids.

UNIT I - NAME REACTIONS IN ORGANIC SYNTHESIS (15 Hours)

Acyloin condensation, Shapiro reaction, Julia olefination, Bamford – Stevens reaction,
Bouveault-Blanc Reduction, Oxymercuration, Mc Murray coupling, Mukaiyama aldol
reaction, Hofmann-Loffler-Freytag reaction, Peterson olefination, Wittig reaction, Tischenko
reaction, Ugi reaction, Nef reaction.
UNIT II - RETEROSYNTHETIC ANALYSIS (15 Hours)
Disconnection approach - Synthon-synthetic equivalent, target molecule - Functional group
interconversions – Chemoselectivity - one group C-C and C-X disconnection (disconnection
of alcohols, alkenes, and carbonyl compounds) -Two group C-C & C-X disconnections: 1,3
and 1,5 difunctionalised compounds, α,β- unsaturated carbonyl compounds, synthesis of 3,4,5
and 6 membered rings in organic synthesis. Diels- Alder reaction, Robinson annulation
reaction.
Use of protecting groups for alcohols, amines, acids, carbonyl compounds- use of activating
and blocking groups – Reversal of polarity (Umpolung) - Reterosynthetic analysis of the
following compounds: cis - Jasmone, Trihexyl phenydyl, Isonootkatone, cascarillic acid, and
2,4-dimethyl-2-hydroxy pentanoic acid.
UNIT III - REAGENTS IN ORGANIC SYNTHESIS (15 Hours)
Uses of the following reagents in organic synthesis and functional group
transformation:
2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), DMSO, Super hydrides - Dess-martin-
periodinane.
Modern Reagents: Introductory treatment of the application of silicon (Tri alkyl silyl halides,
organo silanes), Boron (9–BBN, borane, and alkyl borane), phosphorus (phosphoranes), Tin –
allyl stannane, palladium (Stille coupling, Suzuki Coupling, Heck and Negishi reactions)
 87

samarium (SmI2), ruthenium (RuO4, Ru-BINAP Complex), platinum (Adam’s Catalyst)

reagents.
UNIT IV - STEROIDS (15 Hours)
Classification- structural elucidation of cholesterol, irradiated products of ergosterol.
Conversion of cholesterol to androsterone, progesterone, testosterone, 5α- and 5 β-cholanic
acid. Conversion of Oestrone to Oestriol, Oestrodiol and vice-versa. Conformational structure
of cholestane and Coprostane. General study of Bile acids and Prostoglandins.
UNIT V - VITAMINS AND TERPENOIDS (15 Hours)
Vitamins: Structural elucidation, synthesis of vitamins – A1, B1 and C - synthesis of vitamins
B2, B6, D and E.
Terpenoids: Structural elucidation, synthesis of α-Pinene, Camphor, α-Cadinene,
Zingiberene and squalene - synthesis of α-Santonin and Gibberelic acid.

TEXT BOOKS
1. B. P. Mundy, M. G. Ellerd, & F. G. Favaloro. Name Reactions and Reagents in
Organic Synthesis, Wiley-Interscience, 2005.
2. A. Hassner and I. Namboothiri, Organic Syntheses Based Name Reactions, Elsevier ,
2012.
3. W. Carruthers, and I. Coldham, Modern Methods of Organic Synthesis, Fourth
edition, Cambridge University Press, 2015.
4. Dr Jagdamba Singh and Dr. L.D.S Yadav, Orgnic Synthesis: Design, Reagents,
Reactions and Rearrngements, A Pragati Second Revised Edition, 2007.
5. E. J. Corey & X. M. Cheng, The Logic of Chemical Synthesis, Wiley-India, 2011.
6. S. Warren & P. Wyatt, Organic Synthesis: The Disconnection Approach, John Wiley
& Sons, 2008.
7. Sanyal and Sanyal, Reactions, Rearrangements and Reagents, Fourth edition,
Bharati Bhawan Publishers and Distributors, 2003.
8. N.R. Krishnaswamy, Chemistry of Natural Products; A Unified Approach, CRC
Press; 2nd edition, 2010.
9. I.L. Finar, Organic Chemistry, Vol II, 5th edition, Pearson Education India, 2002.
REFERENCE BOOKS
1. L. Kurti & B. Czako, Strategic Applications of Named Reactions in Organic
Synthesis, Elsevier 2005.
2. Jie Jack Li, Name Reactions, Fifth edition (Springer), 2014.
 88

3. Thomas Laue and Andreas Plagens, Named Organic Reactions, John Wiley & Sons,
1999.
4. F. A. Carey and R.J. Sundberg, Advanced Organic Chemistry, Part B: Reaction and
Synthesis, 5th edition, Springer, 2007.
5. R. O.C. Norman and J. M. Coxon, Principles of Organic Synthesis, 3rd edition, 1993.
6. P. Wyatt & S. Warren, Organic Synthesis: Strategy and Control, Wiley-Blackwell,
2007.
7. S. Warren, Designing Organic Synthesis, John Wiley & Sons, 1994.
8. D. Goldsmith, M. C. Pirrung and A. T. Morehead, Total Synthesis of Natural
Products, John Wiley & Sons, 2007.
9. R. Xu, Y. Ye and W. Zhao, Introduction to Natural Products Chemistry, CRC
Press, 2011.
10. D. Barton, K. Nakanishi and O. Meth-Cohn, Comprehensive Natural Products
Chemistry, Elsevier 1999.
11. D. L. Nelson and M. M. Cox, Lehninger’s Principles of Biochemistry, Seventh
edition, WH Freeman, 2017.
12. J.M. Berg, J.L. Tymoczko and L. Stryer, Biochemistry, Fifth edition, W.H.Freeman
and Co, 2002.
COURSE OUTCOMES (COs)
Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Illustrate the prescribed organic name reactions with their mechanisms K2, K3
and apply in organic synthesis.
CO2 Design organic synthetic steps employing disconnection approach in K3, K6
the synthesis of drugs, natural products etc.
CO3 Identify suitable reagent for important organic reactions and building K3
appropriate bonds.
CO4 Explain the structural elucidation of cholesterol and various synthetic K2
approaches of steroids in Natural Products synthesis.
CO5 Infer the structural elucidation and the synthesis of vitamins and K2
terpenoids
 89

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S M L L S S S S M S S N M S S
CO2 S S S S L L S S S S S S S N S S S
CO3 M S S S L L S S S S M S S N M S S
CO4 M S M M L L S S S M L M M N L M S
CO5 M S M M L L S S S M L M M N L M S
 90

BIOINORGANIC, SPECTRAL METHODS-II AND L T P C

CORE 21
PHOTOCHEMISTRY 5 0 0 4

Objectives:
 To introduce bioinorganic chemistry and to study role of metalloporphrins and
metalloenzymes in various biological processes.
 To study the applications of Mossbauer and nuclear quadrupole resonance
spectroscopic techniques in inorganic systems.
 To study the applications of NMR and EPR techniques in inorganic systems.
 To introduce inorganic photochemistry and to study applications in various systems.

UNIT I - BIOINORGANIC CHEMISTRY– I (15 Hours)

Biological function, toxicity and deficiency of trace elements (N, O, F, Na, Mg, P, S, K, Ca,
Cr, Mn, Fe, Co, Cu, Zn, As, Mo, Cd, Hg, I, Pb); classification of metallo-biomolecules.
Metalloporphyrins – chlorophyll and photosynthesis; cytochromes, hemoglobin, myoglobin
and dioxygen binding, vitamin B12 and co-enzyme – in vivo and in vitro nitrogen fixation.
Iron storage and transport: ferritin, transferrins and siderophores, iron proteins: hemerythrin,
cytochrome P450 enzyme, ferredoxin and rubredoxin.
UNIT II - BIOINORGANIC CHEMISTRY– II (15Hours)
Copper proteins and Enzymes:peroxidases,catalases,oxygenases, plastocyanin, azurin,
hemocyanin and ascorbic oxidase – different types of Cu present in proteins and enzymes.
Zinc enzymes: carboxypeptidase A, carbonic anhydrase and superoxide dismutase. Inhibition
and poisoning of enzymes illustrated by xanthine oxidase and aldehyde oxidase. Chelate
therapy – metal complexes as drugs, anticancer and antiarthritic agents. Metal complexes as
probes of nucleic acids.
UNIT III - MOSSBAUER SPECTROSCOPY (15 Hours)
Splitting of resonance lines: quadrupole splitting and magnetic hyperfine splitting.
Applications: MB spectra of iron compounds/complexes – structural elucidation, π- bonding
effect, determination of high spin and low spin, spin state crossover and cis–trans isomers –
nature of the complexes – mixed valence complexes. Tin compounds: MB spectra of Sn(II)
and Sn(IV) compounds, oxidation states of Sn in its different compounds. Applications in
bioinorganic chemistry: oxy and deoxy- hemerythrin - catalase, peroxidases, Fe-S protein
systems.
 91

UNIT IV - NMR AND ESR SPECTROSCOPY (15 Hours)

NMR Spectroscopy: 1H, 19F and 31P – NMR – applications in structural problems based on
number of signals, multiplicity, anisotropy (like H3PO3, H3PO2, [HNi(PPh3)4]+, SF4, TiF4,
PF5, HPF2, H2PF3, PF3(NH2)2, P4S3, P4N4Cl6(NHC6H5)2, P3N3(CH3)2Cl4, NF3, NH3 – mer- and
fac-Rh(PPh3)3Cl3. B11 NMR of B3H8- and B10H14. Fluxional molecules (including
organometallic compounds) and study of fluxionality by NMR technique - NMR of
paramagnetic molecules - contact shifts. Evaluation of Rate constants - monitoring the course
of reaction using NMR.
EPR spectroscopy: Hyperfine splitting - Factors affecting magnitude of g-values - Zero field
splitting and Kramers’ degeneracy - Application of EPR in the study of transition metal
complexes based on number of signals, multiplicity, anisotropy
(bis(salicylaldimine)copper(II), [Cu(bpy)3]2+, [Cu(Phen)Cl2], [(NH3)5Co-O2-Co(NH3)5]5+
Co3(CO)9Se, Co3(CO)9Rh, [CoF6]4-, [CrF6]3-, VO(acac)2, [VO(H2O)6]2+, [Fe(CN)5NO]2−.
Applications in predicting the covalent character of M-L bond and Jahn-Teller distortion in
Cu(II) complexes. EPR spectroscopy of metallobiomolecules: copper and iron proteins.
UNIT V - PHOTOCHEMISTRY OF METAL COMPLEXES (15 Hours)
Properties of excited states of metal complexes – types of excited states, Frank Condon and
thermally equilibrated excited (THEXI) states – photophysical processes: bimolecular
deactivation and energy transfer, photochemical processes: electron transfer reactions,
isomerisation and substitutional processes – Photochemistry of Cr(III) and Co(III) complexes
- Photophysical and photochemical properties of [Ru(bpy)3]2+ and [Cr(bpy)3]3+. Applications
of inorganic photochemistry: photochemical conversion and storage of solar energy –
photochemical conversion of N2 to NH3 – TiO2 as a green photocatalyst in removing air and
water pollutants.

TEXT BOOKS
1. James E. Huheey, Ellen A. Keiter and Richard L. Keiter, Inorganic chemistry:
principles Structure and Reactivity, 4th Edition, Pearson Education, 2006.
2. P. Atkins, T. Overton, J. Rourke, M. Weller and F.Armstrong, Inorganic Chemistry,
5th edition, Oxford University press, 2010.
3. Russell S. Drago, Physical Methods in Inorganic Chemistry, Chapman and Hall,
London, 1965.
4. Russell S. Drago, Physical Methods for Chemists, Surfside Scientific Publishers, 2nd
Edition, 1977.
 92

5. E.A.V. Ebsworth, David W.H. Rankin and Stephen Credock, Structural Methods in
Inorganic Chemistry, ELBS, 1988.
6. I.Bertini, H.B.Gray, S.J.Lippard and J.S.Valantine, Bioinorganic Chemistry, Viva
Books, 1998.
7. S.J. Lippard and J.M. Berg, Principles of Bioinorganic Chemistry, Panima Company,
New Delhi, 1997.
8. K.K. Rohatgi – Mukherjee, Fundamentals of Photochemistry, Wiley, New York, 3rd
Edition, 2002.
9. D.E. Fenton, Bio-coordination Chemistry, Oxford Science Publications, 1995.
REFERENCE BOOKS
1. F. Albert Cotton, Geoffrey Wilkinson, Carlos A. Marilo and Manfred Bochman,
Advanced Inorganic Chemistry, Wiley Interscience Publication, 6th Edition, 2008.
2. David W. H. Rankin, Norbert W. Mitzel and Carole A. Morrison, Structural Methods
in Molecular Inorganic Chemistry, John Wiley & Sons, 1st Edition, 2013.
3. John A. Weil and James R. Bolton, Electron Paramagnetic Resonance Elementary
Theory and Practical Applications, 2nd Edition, John Wiley & Sons, 2007.
4. E.I. Solomon and A.B.P. Lever, Inorganic Electronic Structure and Spectroscopy,
Vol. 2 , Applications and case studies , Wiley – Interscience, 2006.
5. R.V. Parish, NMR, NQR, EPR and MOSSBAUER Spectroscopy in Inorganic
Chemistry, Ellis Horwood Limited, 1990.
6. A.W. Adamson and P.D. Fleischauer, Concepts of Inorganic Photochemistry, John
wiley and sons, New York, 1975.
7. K. Kalyanasundaram, Photochemistry of polypyridine and phorphyrin complexes,
Academic Press, London, 1992.
 93

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Describe the role of metalloporphrins and metalloenzymes in various K2
biological processes.
CO2 Apply metal complexes as drugs and probes of nucleic acids K3
CO3 Explain the applications of Mossbauer, NMR and EPR Spectroscopy K2, K3,
in inorganic compounds and interpret the data. K4
CO4 Explain the photophysical and photochemical properties of metal K2
complexes
CO5 Develop photochemical conversion, storage of solar energy and green K6
photocatalyst.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M M L L S S S M S M L N L M S
CO2 S S S S L L S S S S S M M N M S S
CO3 M S S S L L S S S S M M M N S S S
CO4 M S M M L L S S S M M L L N L S S
CO5 S S S M L L S S S S S M S N L S S
 94

CHEMICAL KINETICS, PHOTOCHEMISTRY AND L T P C

CORE 22
SURFACE CHEMISTRY 5 0 0 4

Objectives:
 To educate the kinetic theory of gases.
 To explain various concepts of Phase rule.
 To elucidate the use of chemical kinetics in understanding reaction mechanisms and
to apply the theories and concepts of it for homogenous and heterogeneous catalyzed
reactions.
 To understand the photochemical organic reactions and radiation chemistry
reactions.
 To understand the surface phenomena.

UNIT I - KINETIC THEORY OF GASES AND PHASE RULE (15 Hours)

Equations of state - molecular speeds - distribution of molecular velocities - one, two and
three dimensions (Maxwell distribution of molecular velocity) - Maxwell distribution as
energy distribution - Maxwell Boltzmann distribution law - Principle of equipartition energy
and quantization - calculation of vibrational heat capacity - transport properties - thermal
conductivity in a gas - the molecular collisions and mean free path in a gas - viscosity -
diffusion of gases - nonsteady state - Poiseuille formula.
Phase rule and Lever rule - Derivation of phase rule from the concept of chemical potential.
Plots for a mixture of three liquids consisting of one, two and three pairs of partially miscible
liquids. Salting out phenomenon - systems composed of two solids and a liquid.
UNIT II - CHEMICAL KINETICS –I (15 Hours)
Simple collision theory, absolute reaction rate theory, thermodynamics treatment, potential
energy surfaces, application of ARRT to simple bimolecular processes - steady state
approximation, principle of microscopic reversibility & detailed balancing - chain reactions -
general characteristics, study of kinetics of chain reactions like decomposition of
acetaldehyde and N2O4; study of H2-O2 explosive reactions. Reactions in solutions - Factors
determining reaction rates in solution; primary and secondary salt effects - influence of ionic
strength and dielectric constant on reactions involving (i) ions (ii) dipoles (iii) ion and dipole.
Electrostriction; influence of hydrostatic pressure; volume of activation. Linear free energy
relationship, Hammett and Taft equations.
 95

UNIT III - CHEMICAL KINETICS – II (15 Hours)

Theory of unimolecular reactions - Lindemann, Hinshelwood, RRK, RRKM and Slater
treatments. General catalytic mechanisms. Equilibrium and steady state treatments. Enzyme
catalysis, Michalis-Menten kinetics, activation energies of enzyme-catalyzed reaction. Acid -
base catalysis - protolytic and prototropic mechanisms. Acidity functions - Kinetic methods
of analysis. Fast reaction techniques - Relaxation theory and relaxation techniques -
Temperature, Pressure, electric field and magnetic field jump methods; Flash photolysis and
pulse radiolysis, ultrasonic absorption techniques, reaction in a flow system, continuous and
stopped flow, shock wave tube method.
UNIT IV - PHOTOCHEMISTRY AND RADIATION CHEMISTRY (15 Hours)
Physical properties of the electronically excited molecules - excited state dipole moments,
excited state pKa, excited state redox potential. Fluorescence, phosphorescence and other
deactivation process - Stern-Volmer equation and its applications. Photosensitisation and
chemiluminescence. Experimental techniques in photochemistry - flash photolysis technique.
Radiation chemistry - source of high energy - interaction of high energy radiation with
matter, radiolysis of water - definition of G value. Primary and secondary process, linear
energy transfer - the hydrated electron and its reactions.
UNIT V - SURFACE CHEMISTRY AND CATALYSIS (15 Hours)
Micelles - surface active agents, classification of surface active agents, micellization,
hydrophobic interaction, critical micellar concentration (CMC), factors affecting the CMC of
surfactants, counter ion binding to micelles, thermodynamics of micellization - reverse
micelles. Chemisorption and Physisorption; Langmuir’s adsorption isotherm; competitive
adsorption - Mechanisms of reactions on surfaces (Langmuir, Rideal and Langmuir-
Hinshelwood mechanisms) Activation energies - Non-ideal adsorption; multiplayer
adsorption; capillary condensation; measurement of surface area, BET equation , Gibbs
adsorption isotherm - electrokinetic phenomena - zeta potential - Catalysis and types of
catalysis - Heterogeneous catalysis - reactions and their kinetics.

TEXT BOOKS
1. J. Rajaram and J.C. Kuriokose, Kinetics and Mechanisms of chemical transformation,
1stEdn., Macmillan India, Delhi, 1993.
2. C. Kalidas, Chemical Kinetics methods, New-Age International, 1996.
3. K.J. Laidler, ChemicalKinetics, 3rdedn., Harper and Row Publishers, New York, 1987.
4. A.A. Frost and R.G. Pearson, Kinetics and Mechanism, 2nd edn., John Wiley and sons
 96

INC., 1963.
5. D.K. Chakrabarty and B. Viswanathan, Heterogeneous Catalysis, New Age Science,
2008.
REFERENCE BOOKS
1. Walter J. Moore, Physical Chemistry, 5th edition, Orient Longman, 1976.
2. G.W. Castellan, Physical Chemistry, 3rd edition, Addision-Weslay, 1986.
3. P. Atkins, Physical Chemistry, 7th edition, Oxford University Press, 2000.
4. K.B. Ytsiimiriski, Kinetic Methods of Analysis, Pergamom press, 1993.
5. W. Adamson and A.P. Gast, Physical chemistry of surfaces, 6th Edn.,Wiley, 1997.
6. J.J. Bikerman, Surface Chemistry: Theory and Applications, 2nd Edition, Academic
Press, 2013.
COURSE OUTCOMES (COs)
Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Explain kinetic theory of gases and phase rule and its applications. K2, K3
CO2 Describe the concepts of chemical kinetics and make use of it in K2,K3,
understanding reaction mechanisms. K4
CO3 Illustrate various photochemical processes and experimental K2, K4
techniques in photochemistry.
CO4 Explain the basic ideas of radiation chemistry and its applications. K2, K3

CO5 Describe the concepts of Adsorption processes and catalysis. K2

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S M M L L S S S M L L M N M S S
CO2 M S M M L L S S S M L L M N M S S
CO3 M S M M L L S S S M M L M N L S S
CO4 M S M M L L S S S M M L M N L M S
CO5 M S M M L L S S S S M M S N M S S
 97

L T P C
CORE 23 SELECTED TOPICS IN CHEMISTRY
4 0 0 4

Objectives:
 To understand the concept of Computational chemistry.
 To learn principle of corrosion, corrosion inhibition and separation techniques.
 To study Chemical sensors, Biosensors and Contrasting agents in medical diagnosis.

UNIT I - COMPUTATIONAL CHEMISTRY (12 Hours)

Introduction to computational chemistry - quantum mechanics - schrodinger equation. Types
of calculations – single point energy, geometry optimization, frequency prediction - Brief
introduction of computational methods - Ab initio method, semi-empirical method, Density
Functional Theory method, Molecular mechanics. Basis Sets - minimal basis sets, split
valence basis sets, polarized basis sets, Diffuse functions, High angular momentum basis sets.
UNIT II - CORROSION SCIENCE (12 Hours)
Principles of Corrosion – Definition – Types of Corrosion - Electro chemical principles of
Corrosion – Corrosion monitoring methods - Coupon (weight loss) – electrical resistance –
gasometric – Potentiodynamic polarisation – impedance – hydrogen permeation – Corrosion
inhibition – definition – Classification of inhibitors based on electrode process – mechanism
of inhibitor action in acidic medium
UNIT III - SEPARATION TECHNIQUES (12 Hours)
Solvent extraction - Methods of extraction and applications of solvent extraction, solid-phase
extraction, micro extraction (SPME), solid-phase nano extraction (SPNE).
Chromatography - thin layer chromatography, ion exchange chromatography and size
exclusion chromatography – HPLC-outline study of instrument modules. Gas
chromatography – basic instrumental set up-carriers, columns and detectors.
UNIT IV - SENSORS (12 Hours)
Definitions for sensors and biosensors - Technical definitions: calibration, selectivity,
sensitivity, reproducibility, detection limits, response time; Introduction to Transducers -
primary and secondary types, Active and passive, Analog and Digital transducers.
Sensors based on sensing layer - Chemical sensor - semi-conductor gas sensors, solid
electrolyte gas sensors, ion-selective electrode sensors, humidity sensors and field effect
transistor sensors. Bio-sensors - Enzymes based, Affinity-based biosensors, Inhibition-based
biosensors; Cell-based biosensors (Membrane receptors and transporters).
 98

UNIT V - CONTRASTING AGENTS IN MEDICAL DIAGNOSIS (12 Hours)

MRI imaging: Principles of MRI - development of MRI contrasting agents - types of
contrasting agents – Gadolinium based contrasting agents, Manganese based contrast agents -
Advantages and disadvantages - Fe(III) and Fe(II) based contrast agents - merits and
demerits. Routes of administration - Targeted and organ specific contrast agents.
Radio isotopic Imaging agents: principle, functions and requirements of radio isotopic
imaging agents - types of nuclear imaging - PET, SPEC and CAT imaging - nuclear imaging
agents –18F, 99mTc.

TEXT BOOKS
1. Frank Jensen, Introduction to Computational Chemistry, Third Edition, John Wiley &
Sons, 2017.
2. Andrew R. Leach, Molecular modelling: principles and applications, Second Edition,
Prentice-Hall, 2001.
3. Edward Mc Cafferty, Introduction to Corrosion Science, First Edition, Springer,
2010.
4. D. Kealey and P.J. Haines, Instant Notes Analytical chemistry, First Edition, BIOS,
2002.
5. R. Gopalan, P. S. Subramanian and K. Rengarajan, Elements of Analytical Chemistry,
Sultan Chand and Sons, New Delhi, 2005.
6. S. M. Khopkar, Basic concepts of analytical chemistry, Third edition, New age
international, 2008.
7. G.R. Chatwal and S.K. Anand, Instrumental Method of Chemical Analysis, Himalaya
Publishing house, fifth (Reprint), 2016.
8. Jiri Janata, Principle of Chemical Sensors, First edition, Springer Science, 1989.
9. Editor-Maartin Braddock, Biomedical Imaging: The Chemistry of Labels, Probes and
Contrast Agents, Royal Society of Chemistry, 2012.
REFERENCE BOOKS
1. Christopher J. Cramer, Essentials of Computational Chemistry: Theories and Models,
Second Edition, John Wiley & Sons, 2004.
2. James B. Foresman, Exploring Chemistry with Electronic Structure Methods, Second
Edition, Gaussian Inc, 1996.
3. R Winston Revie and Herbert Henry Uhlig, Corrosion and its Control, Fourth
Edition, John Wiley & Sons, 2018.
 99

4. Douglas A. Skoog, Donald M. West, F. James Holler, Stanley R. Crouch,

Fundamentals of Analytical Chemistry, Ninth edition, Brooks/Cole, 2013.
5. Brian R. Eggins, Chemical Sensors and Biosensors, First Edition, John Wiley & Sons,
2002.
6. Peter Grundler, Chemical Sensors, Springer, 2007.
7. Florinel-Gabriel Banica, Chemical Sensors and Biosensors-Fundamentals and
applications, First Edition, John-Wiley &Sons, 2012.
8. Ursula E. Spichiger-Keller, Chemical Sensors and Biosensors for Medical and
Biological Applications, Wiley-VCH, 1998.
9. Richard C. Dorf, Sensors, Nanoscience, Biomedical Engineering, and Instruments:
Sensors Nanoscience Biomedical Engineering, CRC Press, 2006.
10. M.J. Usher and D.A. Keating, Sensors and Transducers, Second Edition, Macmillan
Press, 1996.
11. Editors-Andre Merbach, Lother Helm and Eva Toth, The chemistry of Contrasting
Agents in Medical Magnetic Resonance Imaging, Second Edition, John Wiley and
Sons, 2013.
12. Editors-Valerie C. Pierre and Matthew J. Allen, Contrast Agents for MRI, Royal
Society of Chemistry, 2018.

COURSE OUTCOMES (COs)

Upon completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Describe the importance and applications of Computational Chemistry K2, K3
methods.
CO2 Be competent in separation and purification techniques. K3, K4
CO3 Explain the corrosion monitoring methods and application of corrosion K2, K3
inhibitors.
CO4 Develop various types of sensors. K3, K6

CO5 Choose contrasting agents in medical diagnosis. K3, K6

 100

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S L S S S S S M S N S S S
CO2 M S S S S L S S S S S M S N L S S
CO3 M S S S S L S S S S S S S N L S S
CO4 S S S S S L S S S S S S S N S S S
CO5 S S S S S L S S S S S S S N S S S
 101

COMPUTATIONAL SOFTWARE IN CHEMISTRY L T P C

CORE 24
- LABORATORY COURSE 0 0 4 2

Objectives:
 To impart skills on use of various chemistry tools that are essential for any student
with chemistry as a major course.
 To learn the techniques of molecular simulations which will enhance the students’
employability in academia and industry.

UNIT I - BASICS
Basic idea of Molecular Modelling – A brief introduction about computational methods and
their applications in chemistry – Basic terminologies used in computational methods
(relevant to the exercises given in UNIT II). Computing software - introduction and stepwise
approach to Chemdraw, ACD/Chemsketch, Argus Lab, AVOGADRO, Molinspiration,
preADMET, SwissADME, SwissDock, 1 – Click online server, Autodock, and Crystal
Explorer.
Lectures include entire process of downloading and installation of the software.

UNIT II - HANDS ON EXERCISES

The experiments are related to the topics covered in B.Sc - M.Sc Chemistry courses. The
students must do the following exercises depending on the availability of time and suitable
computational chemistry software.
A. Drawing the structures of organic molecules and reaction schemes using Chemdraw
or ACD/Chemsketch.

B. For the following experiments, Argus Lab or ACD/Chemsketch or Avogadro

Molecular Editor or Gaussian software can be used. Minimum of six experiments
is required to be carried out in this section.

1. Geometry optimization and single point energy calculations of simple organic

molecules.
2. Calculation of energy gap between HOMO and LUMO in simple molecules and
visualization of molecular orbitals.
3. Calculation of dipole moment in polar organic molecules.
4. Calculation of electrostatic charges of atoms in organic molecules using
population analysis.
5. Calculation of Resonance energy of aromatic compounds.
 102

6. Prediction of the stability of ortho, meta, para products of nitration of aromatic

ring using computational chemistry calculations.
7. Calculation of IR stretching frequencies of groups and visualization of normal
modes of vibration in organic molecules.
8. Calculation of dimerization energy of carboxylic acids.
9. Perform the conformational analysis of butane using potential energy scan.
10. Find the transition state of simple organic reactions and plot the reaction profile.
11. Determination of heat of hydration of organic molecules.
12. Find the Gibbs free energy of simple gaseous phase reactions and calculate
equilibrium constant.
13. Spectral analysis (UV, IR and NMR) of simple organic molecules.
14. Calculation of pKa of simple organic molecules and compare it with experimental
values.
15. Calculation of electrophilicity index in hard-soft acids and bases.

C. Prediction of molecular properties, bioactivity and molecular docking of drug

molecules.
1. Calculation of molecular properties and bioactivity of the simple drug molecules
like aspirin, paracetamol, and the drugs of your choices using the online server
molinspiration.

2. Prediction of drug likeliness, ADME and Toxicity of the drug classes like
antibiotics, antihistamines, anesthetics and drug molecules of your choice using
online servers preADMET or SwissADME or SwissDock.

3. Perform molecular docking of your choice using 1-click docking online server
tool at mcule.com. Website: https://mcule.com/. First register at the site and
perform molecular docking. Similarly, Autodock tools or Autodock Vina or Argus
Lab can be used for molecular docking.

D. Learn to generate Hirshfeld surfaces, study the interaction energies and draw the
electrostatic potential map using Crystal Explorer Software.
 103

LINKS TO DOWNLOAD SOFTWARE

ACD/Chemsketch : https://www.acdlabs.com/resources/freeware/chemsketch/index.php

Molinspiration : https://www.molinspiration.com/

PreADMET : https://preadmet.bmdrc.kr/

SwissADME : http://www.swissadme.ch/index.php

Crystal Explorer: https://crystalexplorer.scb.uwa.edu.au/

1-click docking online server: https://mcule.com/

Autodock Tools Link: http://mgltools.scripps.edu/downloads

Autodock Vina Link: http://vina.scripps.edu/

Discovery Studio Visualizer: https://www.3dsbiovia.com/products/co..

Avogadro Molecular Editor : https://avogadro.cc/

ArgusLab : http://www.arguslab.com/arguslab.com/ArgusLab.html

REFERENCE BOOKS
1. Jan H. Jensen, Molecular Modelling Basics, CRC Press, 2010.
2. Waren J. Hehre, Alan J. Shusterman and Janet E. Nelson, The molecular modelling
workbook for organic chemistry, Wavefunction Inc., 1998.
3. James B. Foresman and Eleen Frisch, Exploring Chemistry with Electronic Structure
Methods, Gaussian Inc., Second Edition, 1996.
4. James B. Foresman and Eleen Frisch, Exploring Chemistry with Electronic Structure
Methods, Gaussian Inc., Third Edition, 2015.
5. Donald W. Rogers, Heats of Hydrogenation: Experimental and Computational
Hydrogen Thermochemistry of Organic compounds, World scientific Publishing Co,
2006.
 104

COURSE OUTCOMES (COs)

On completion of the course, the students will be able to
CO CO Statement Cognitive
Nos Level
CO1 Use chemical software for drawing chemical structures, reaction K3
schemes and generation of their names.
CO2 Perform molecular docking in structural molecular biology and K4, K6
computer assisted drug design which enhance their employability in
academia and industry.
CO3 Calculate the single point energy, energy gap, dipole moment, K5
resonance energy, equilibrium constant, electrophilicity index,
dimerisation energy etc.
CO4 Interpret spectral data (UV, IR, NMR spectrum) K4
CO5 Investigate intermolecular interactions and packing in crystalline K4, K5
materials using Hirshfeld surface analysis.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 M S S S S S S S S S S M S N S S S
CO2 M S S S S S S S S S S S S N S S S
CO3 M S S S S S S S S S S M S N S S S
CO4 M S S S S S S S S S S M S N S S S
CO5 M S S S S S S S S S S M S N S S S
 105

L T P C
CORE 25 PROJECT
0 0 7+5* 6

Objectives:
 This course is designed to reinforce the concepts with analytical techniques.
 It provides a platform for students to have a hands-on experience with instruments
and present a project report on a research topic.

Students will do the project work on a title approved by the respective project supervisor.
Students will maintain daily records and present oral reports while doing the project. All the
above process will be duly assessed by the project supervisor. They will submit the project
report at the end of the semester.

COURSE OUTCOMES (COs)

After completing the course, the students will be able to
CO CO Statement Cogniti
Nos ve Level
CO1 Identify research problem, carry out literature survey and use of K1, K2,
different experimental/spectroscopic techniques. K3, K4
CO2 Develop interdisciplinary solutions to a variety of chemical problems. K3
CO3 Communicate research findings efficiently in written (report) and K4, K5,
verbal (viva-voce) forms. K6
CO4 Use terminology appropriate to the field of study correctly and K3
contextually.
CO5 Motivate themselves and acquire basic knowledge for carrying out K6, K2
research work.

MAPPING OF COURSE OUTCOMES WITH POs AND PSOs

CO PO1 PO2 PO3 PO4 PO5 PO6 PO7 PO8 PSO1 PSO2 PSO3 PSO4 PSO5 PSO6 PSO7 PSO8 PSO9
CO1 S S S S M M S S S S S S S S S S S
CO2 S S S S S L S S S S S S S N S S S
CO3 M S S M M S S S S S S S S S S S S
CO4 M S M M L L S S S S S S S S S S S
CO5 S S M S M L S S S S S S S S S S S