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Focus Area Unit 4

1. Valence shell electron pair repulsion (VSEPR) theory predicts molecular geometry based on electron pair-pair repulsions. The theory states that electron pairs around a central atom will adopt an arrangement that minimizes repulsions between electron pairs. 2. Molecular orbital theory describes how atomic orbitals combine to form molecular orbitals through orbital overlap. Bonding molecular orbitals are lower in energy than atomic orbitals and favor bond formation, while antibonding molecular orbitals are higher in energy and do not favor bonding. 3. Bond order is defined as half the difference between the number of electrons in bonding and antibonding molecular orbitals. Bond order correlates with bond stability and length, with higher

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149 views

Focus Area Unit 4

1. Valence shell electron pair repulsion (VSEPR) theory predicts molecular geometry based on electron pair-pair repulsions. The theory states that electron pairs around a central atom will adopt an arrangement that minimizes repulsions between electron pairs. 2. Molecular orbital theory describes how atomic orbitals combine to form molecular orbitals through orbital overlap. Bonding molecular orbitals are lower in energy than atomic orbitals and favor bond formation, while antibonding molecular orbitals are higher in energy and do not favor bonding. 3. Bond order is defined as half the difference between the number of electrons in bonding and antibonding molecular orbitals. Bond order correlates with bond stability and length, with higher

Uploaded by

Muhammed Muhasin. K
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CHEMICAL BONDING AND MOLECULAR STRUCTURE----- FOCUS AREA NOTES

Valence Shell Electron Pair Repulsion Theory (VSEPR Theory)


Main Postulates
1. The shape of molecule depends on the number of electron pairs in the valence shell of central atom
2. The negatively charged electron pairs repel each other
3. To minimise repulsion, they stay as far as possible. This gives the geometry to the molecule
4. A multiple bond is treated as a single super pair
5. The repulsive interaction between electron pairs decreases in the order
lone pair –lone pair > lone pair – bond pair > bond pair – bond pair
Shape of molecules whose central atom has no lone pair of electrons

No. of Shape of molecule Examples


electron pairs

2 Linear BeF2 , BeCl2


3 Trigonal planar BF3 , AlCl3
4 Tetrahedral CH4 , NH4+ ,
5 Trigonal bipyramidal PCl5
6 Octahedral SF6

Shape of molecules whose central atom contains lone pairs

TYPE Bond pairs Lone pairs Shape Example

AB2E 2 1 Bent SO2 , O3


AB3E 3 1 Trigonal pyramidal NH3
AB2E2 2 2 Bent H2O
AB4E 4 1 See saw SF4
AB3E2 3 2 T-Shape ClF3
AB5E 5 1 Square pyramid BrF5
AB4E2 4 2 Square planar XeF4

Structure of NH3
Ammonia contains three bond pairs and one lone pair of electron, total four electrone pairs around N
atom. So expected geometry is tetrahedral. But due to the presence of lone pair,ammonia has trigonal
pyramidal shape. Due to bond pair-lone pair repulsion the bond angle reduces to 1070
Structure of water
Water molecule contains 2 bond pairs and 2 lone pairs. Expected geometry is tetrahedral. Due to the
presence of 2 lone pairs the actual geometry is bent. Due to lone pair – bond pair repulsion the bond angle

reduces to 104.50

Structure of ClF3
ClF3 contains 3 bond pairs and 2 lone pairs of electrons. Total 5 electron pairs. so the expected geometry is
trigonal bipyramid. But due to the presence of two lone pairs, the geometry is T-
shape

Structure of SF4 It contains 4 bond pairs and 1 lone pair. Expected geometry is trigonal bipyramidal. But
due the presence of lone pair the shape is see-saw.
Difference between sigma and pi-bond

SIGMA BOND Pi-BOND

Formed by axial overlapping of half-filled Formed by sidewise overlapping of atomic


atomic orbitals orbitals
Extent of overlapping is large Extent of overlapping is small
Strong bond is formed Weak bond is formed
Free rotation is possible Free rotation is not possible

HYBRIDISATION: Intermixing of atomic orbitals to get orbitals having same energy and identical shape is
called hybridisation

SP Hybridisation: In this one s orbital and one p orbital hybridise to form two sp hybridised orbitals. These
orbitals are arranged in linear position with a bond angle of 1800 Eg: BeCl2 , BeF2 ,C2H2
SP2 HYBRIDISATION: One s orbital and two p orbitals hybridise together to form 3 sp2 hybridised
orbitals; these are oriented towards the vertices of an equilateral triangle. The shape is trigonal planar.
Bond angle is 1200 Eg : BCl3 , C2H4

SP3 HYBRIDISTION : In this one s orbital and three p orbitals hybridise to form four sp3 hybridised
orbitals. They are oriented towards the corners of a regular tetrahedron giving Tetrahedral shape to the
molecule. The bond angle is 1090 28’ Eg: CH4 , C2H6 , H2O, NH3

SP3d HYBRIDISATION: One s three p and one d orbitals hybridise to form five sp3d hybridised orbitals.
Trigonal bipyramidal shape. Equatorial bond angle is 120 and axial bond angles are 900 . Eg : PCl5
SP3d2 HYBRIDISATION: One s, three p, and two d orbitals hybridise to form six sp3d2 orbitals. These
are oriented towards the corners of an octahedron giving octahedral shape. Bond angles are 900 . Eg : SF6

MOLECULAR ORBITAL THEORY ---POSTULATES


1. In molecules electrons are present in new orbitals called molecular orbitals
2. Molecular orbitals are formed by the combination of atomic orbitals having nearly same energies
3. The number of molecular orbitals formed is equal to the number of combining atomic orbitals.
4. Half of the molecular orbitals have lower energy than combining atomic orbitals, they are called bonding
molecular orbitals, and other half with higher energy than atomic orbitals are called antibonding molecular
orbitals.
5. Molecular orbitals are associated with nuclei of all bonded atoms
6.Electrons are filled in molecular orbitals according to Pauli’s exclusion principle, Hund’s rule, and Aufbau
principle

DIFFERENCES BETWEEN BONDING AND ANTIBONDING MOLECULAR ORBITALS

Bonding molecular orbital Antibonding molecular orbital

Formed by the addition of atomic orbitals Formed by the subtraction of atomic orbitals
Lower energy than that of atomic orbitals Higher energy than that of the atomic orbitals
Electron density is concentrated in Electron density is concentrated away from
between the nuclei of bonded atoms the nuclei of bonded atoms
Favours bonding between atoms Do not favours bonding between atoms

BOND ORDER: Bond order is half the difference between number of electrons present in bonding
molecular orbitals and that present in antibonding molecular orbitals
BO =½ [Nb –Na] , Nb— No. of electrons in bonding molecular orbital
Na--- No. of electrons in antibonding molecular orbital
* bond order is directly proportional to stability
* bond order is inversely proportional to bond length
* -ve and zero value of bond order indicate that the molecule is unstable
* value of bond order is equal to the number of covalent bond present between atoms
1.MOLECULAR ORBITAL ENERGY LEVEL DIAGRAM OF H2 Number of electrons in H2=2 ,

M.O configuration is σ1s2 . Bond order of H2 molecule = ½ [Nb –Na] = ½ [2 – 0] = 1


Molecule is stable , diamagnetic , one covalent bond is present

2. Helium Molecule (He2)


Total no. of electrons in He2 molecule = 4 So its M.O configuration is = σ1s2 σ*1s2
Bond order of He2 molecule = ½ [Nb –Na] = ½ [2 – 2] = 0 Since B.O is zero, He2 molecule does not exist.

3. Oxygen (O2) molecule


Total no. of electrons in O2 molecule = 16 So its M.O configuration is = σ1s2 σ*1s2 σ2s2 σ*2s2 σ2pz 2
π2px 2 π2py 2 π*2px 1 π*2py 1
Bond order of O2 molecule = ½ [Nb –Na] = ½ [10 – 6] = ½ x 4 = 2 i.e. in O2 molecule, two Oxygen atoms are
bonded together by a double bond. Its M.O diagram is: Due to the presence of unpaired electrons, O2
molecule is paramagnetic

SAMPLE QUESTIONS
1. Define bond order ? (Ans: Refer Note)
2. How many bond pairs and lone pairs present in NH3 (Ans : 3 bp and 1 lp)
3.Shape of ClF3 molecule is ………. ( T—shape)
4. Shape of NH3 molecule is…………( Trigonal pyramidal)
5. Hybridisation of B in BCl3 is………( SP2 )
6. Hybridisation of P in PCl5 is ………….( SP3d )
7. Shape of CH4 is…………..( Tetrahedral)
8. Bond order of He2 is…………..( 0 )
9.What is the magnetic property of oxygen molecule? ( paramagnetic )
10. Define hybridisation ? ( Refer note )
11. Give any two point of differences between sigma and pi-bond ? ( refer note )
12. Explain the structure of H2O on the basis of VSEPR theory ( Refer note )
13. Which one is more stable H2 or O2. Explain using MO theory ? ( Ans. Hint, Write MO electronic config.
of H2 and O2. Calculate bond order. BO of H2 is 1 and that of O2 is 2 . There fore O2 is more stable )
14. Explain the structure of ethene on the basis of hybridisation ? ( Hint.-each carbon atom is SP2
hybridised-one SP2 hybridised orbital overlap to for c—c sigma bond –other two SP2 hybridised orbitals of
each c atom overlap with 1s orbital of H atom – unhybridised P orbital undergo side wise overlap to form
c—c pi-bond. For diagram refer text. )
15. What are the postulates of VSEPR theory ? ( refer note )
16. What are the postulates of MO theory ? ( refer note )
17. Draw the molecular orbital energy level diagram of O2 molecule and predict the properties. ( Refer
note )

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