Calculations in Chemistry

CHM 101

1
Objectives
• Distinguish between the molar mass and the atomic mass or molecular mass.
• Calculate the number of moles of a substance.
• Calculate the number of atoms or molecules in n moles (or in a mass) of a
substance.
• Distinguish between the molarity, the molality and the solubility of a solution.
• Calculate the mass and the mass percent of an element in a compound.
• Determine the empirical and molecular formulas from their molar masses, from
the masses of the constituent elements of the compound and from the products
of a chemical reaction.
• Recognize a balanced chemical equation and show the relationships between the
number of moles of the reactants and the number of moles of the products.
• Calculate the final concentration after dilution.

2
 • The average mass of all the isotopes of an
Atomic Mass atom with respect to their abundances.
• Expressed in unified atomic mass units
(Atomic Weight) (amu)

1 atomic mass unit is defined as 1/12 of the mass of a single carbon-12

atom

3
Practice
•

4
Formula and Molecular Masses
• The formula mass of a substance
is the sum of the atomic masses of
the atoms in the chemical formula
of the substance.
• commonly expressed in atomic
mass units (amu)

5
Practice
Calculate the molecular masses of
sulfuric acid (H2SO4), glucose
(C6H12O6), calcium sulfate
hemihydrate (CaSO4·0.5H2O) and
iron (II) nitrate (Fe(NO3)2).

H = 1, C = 12, N = 14, O = 16, S = 32, Ca = 40 and

Fe = 56

6
7
Molar Mass (M)
• A mole is the amount of substance
that contains NA= 6.022 ×1023
entities (atoms, molecules, ions).
• NA is called the Avogadro’s number
or Avogadro’s constant,
• Molar mass is the mass of one
mole of a substance
• Unit is gmol-1

8
9
Number of Moles
• Determined by the equation:

m = mass (g)
M = molar mass (g mol−1)

10
Practice
Calculate the number of moles of
calcium carbonate CaCO3 in a stick
of chalk containing 14 g of calcium
carbonate.
C = 12, O = 16, Ca = 40.

11
Practice
What is the mass of 0.28 mol of
acetylsalicylic acid C9H8O4?
H = 1, C = 12, O = 16)

12
Number of Atoms, Molecules, or Ions
• One mole contains NA atoms,
molecules or ions.
NA = 6.022 ×1023
• the number of atoms, molecules or
ions (N) in n moles of a substance
is given by the following equation

13
Practice
Calculate the number of zinc (Zn)
atoms in 1 g of Zn.
Zn = 65.38

14
Practice
Calculate the number of molecules of
calcium carbonate (CaCO3) in 14 g of
calcium carbonate.
C = 12, O = 16, Ca = 40

15
Number of moles, number of atoms and
mass of an element in a compound
•

16
Practice
Calculate the number of atoms of
oxygen (O) in 0.2 kg of sulfuric acid
(H2SO4).
H = 1, O = 16, S = 32

17
Practice
Calculate the mass of iron in 1 kg of
limonite (Fe2O3·1.5H2O).
H = 1, O = 16, Fe = 56

18
Mass percent of an element in a
compound
The ratio of the mass of an element to the total mass of the compound
Steps:
1. Determine the number of atoms of each
element in the molecule.
2. Calculate the total mass of each element.
3. Calculate the molecular mass of the
molecule.
4. Determine the mass percent of each
element.
5. Check the calculation: If you add up all
the mass percent compositions, they
should reach 100%.

19
Practice
Calculate the mass percent of each
constituent element in iron (III) nitrate
(Fe(NO3)3).
N = 14.0, O = 16.0, Fe = 56.0

20
Practice
Calculate the mass percent of iron
(Fe) in 1 kg of iron (III) nitrate
(Fe(NO3)3).
N = 14.0, O = 16.0, Fe = 56.0

21
Empirical formulae
• The empirical formula of a compound is the simplest whole number ratio of the elements
present in one molecule or formula unit of the compound.
• The molecular formula shows the actual number of each of the different atoms present
in a molecule.

22
Practice
Deduce the empirical formula of:
a) hydrazine, N2H4
b) octane, C8H18
c) benzene, C6H6
d) ammonia, NH3

23
Practice
Elemental analysis of an orange
compound shows that it contains
6.64 g of potassium (K), 8.84 g of
chromium (Cr) and 9.60 g of oxygen
(O). Find the empirical and molecular
formulas of this compound.
(K = 39, Cr = 52, O = 16)

24
Practice
When 1.55 g of phosphorus is
completely combusted 3.55 g of an
oxide of phosphorus is produced.
Deduce the empirical formula of this
oxide of phosphorus.
(O = 16.0, P = 31.0)

25
Practice
A compound of carbon and hydrogen
contains 85.7% carbon and 14.3%
hydrogen by mass.
Deduce the empirical formula of this
hydrocarbon.
(C = 12.0, H = 1.0)

26
Practice
Ethyl alcohol contains the elements
C, H and O. When 5 g of ethyl
alcohol are burned in air, 9.68 g CO2
and 5.94 g H2O are obtained as
products.
Find the simplest formula of ethyl
alcohol.
(H = 1, C = 12, O = 16)

27
Try this
The composition by mass of a
hydrocarbon is 10% hydrogen and
90% carbon.
Deduce the empirical formula of this
hydrocarbon.
(C = 12.0, H = 1.0)

28
Molecular Formula
The molecular formula shows the
actual number of each of the different
atoms present in a molecule.

29
Practice
A compound has the empirical
formula CH2Br. Its relative molecular
mass is 187.8. Deduce the molecular
formula of this compound.
(Br = 79.9, C = 12.0, H = 1.0)

30
Try this
The empirical formulae and molar masses of three compounds, A, B and C,
are shown in Table 3.7.
Calculate the molecular formula of each of these compounds.
(C = 12.0, Cl = 35.5, H = 1.0)

31
Stoichiometry
the study of mass
relationships that exist
between reactants and
products in a chemical
reaction

32
Chemical Equations
• Represents chemical reactions

Equations
Hydrogen (H ) reacts with
2

oxygen (O ) in the air to form

2

water, H O.
2

coefficients
specify the relative amounts in moles of each
of the substances involved in the reaction.
the coefficient 1 is usually not written

33
Revision Exercise

34
Finding the mass of a product from
the mass of reactant, or vice versa

35
Practice
Butane reacts with oxygen to form
carbon dioxide and water. Determine
the mass of CO2 obtained when 5.8 g
of butane reacts.
(H = 1, C = 12, O = 16)

36
Practice
Magnesium burns in oxygen to form
magnesium oxide.
Calculate the mass of oxygen
needed to react with 1 mole of
magnesium. What is the mass of the
magnesium oxide formed?

(Mg = 24.3, O = 16)

37
Limiting and Excess Reagents
• We do not always need to know the molar mass of each of the reactants.
• We need only know the mass in grams and the molar mass of the
reactant that is not in excess.

• The reactant which has the number of moles in excess is called the
excess reagent.
• The reactant which is not in excess is called the limiting reagent.

In calculating which reactant is limiting, you must:

• work out the number of moles of the reactant
• take into account the ratio of the reactants shown in the equation (the
stoichiometry).

38
Practice
A sample of 79.8 g of iron(III) oxide is
mixed with 9.36 g of carbon and heated. A
reaction occurs.
2Fe2O3 + 3C → 4Fe + 3CO2
Show by calculation that iron(III) oxide is
the limiting reactant.

(Ar values: Fe = 55.8, O = 16.0, C = 12.0)

39
Lewis Symbols
OBJECTIVE
• Draw the Lewis symbol for an Element

40
Lewis Dot Symbols
• Symbol of an element and one dot for each valence electron.
• Electron configurations shows all electrons, Lewis dot symbols
shows valence electrons

41
Valence electrons of representative elements
are in shell with the highest n-value

42
Valence electrons of representative elements
are in shell with the highest n-value

43
Which of the following is an incorrect
Lewis dot symbol?

44
Covalent Bonds
Learning Outcome
• Describe how different types of covalent bonds form.

45
Covalent Bonds

46
Covalent Compounds form between
nonmetals
• Also known as molecular compounds

47
Covalent bonding results from the
sharing of electrons between atoms

48
Lone pairs of electrons are represented
by pairs of dots
• Also known as nonbonding pairs

49
Lewis structures allows us to understand
how electrons are shared between atoms
• Simple model
• Model explains bonding reasonably well
• Identifies bond type
• Single
• Double
• Triple
• Shows lone pairs

50
Electronegativity
• Learning Outcome
• Identify covalent bonds as polar or nonpolar

51
Electrons are shared unevenly in some
bonds

52
Electronegativity is an atom’s attraction
to electrons in a covalent bond

53
Which of the following has the element with
the highest electronegativity value listed first

54
Electronegativity and electron affinity
are different
• EA is the attraction that an isolated atom has for an additional
electron.
• Electronegativity is the tendency of an atom to attract shared
electrons in a chemical bond

55
Electronegativity explains the sharing of
electrons between two atoms

56
Difference in electronegativity
determines bond type

57
Polar bonds occur when there is a
difference in the electronegativity values
• Uneven sharing of electrons
• Dipole moment

58
Rank the following in order of increasing
bond polarity:
H-F H-Br F-F Na-Cl

59
Lewis Structures
• Learning outcome:
• Draw the Lewis structure of a molecule or ion

60
Single bonds form from sharing two
electrons (i.e. one pair) between two atoms

61
Double bonds form from sharing four
electrons (i.e. two pairs) between two atoms

62
Triple bonds form from sharing four electrons (i.e.
three pairs) between two atoms

63
An atom will form bonds until it is surrounded by 8
valence electrons

64
What if we don’t form an octet?

65
What if we don’t form an octet?

66
Triple Bonds, N2

67
Counting valence electrons

• Determine the number of valence electrons in each atom

• Find the total number of valence electrons
• Example: NF3
➢ N:
➢ F:
➢ Total = 26 valence electrons

68
How many valence electrons are in HCN:

1. 3
2. 14
3. 10
4. 6

69
Consider charge when counting valence electrons
in ions
• How many valence electrons are in NH4+?

70
How many valence electrons are in the Lewis
structure of CO32-
1. 20
2. 22
3. 24
4. 26

71
Writing Lewis Structures
1. Determine total number of valence electrons
2. Write skeletal structure
➢ Least electronegative atom occupies the central position (usually
atom written first in formula: NH3, SO2)
➢ Hydrogen and fluorine occupy terminal positions
➢ Connect the terminal atoms to the central atoms with single bonds
3. Determine remaining electrons

72
Writing Lewis Structures
4. Place lone pairs of electrons around terminal atoms to give
each an octet (except hydrogen)
5. Assign any remaining electrons as lone pairs around the
central atom
6. Check the number of electrons around each atom
7. Move one or more lone pair of electrons from terminal atoms
to form a multiple bond to a central atom

73
The total number of electrons
used in the structure MUST
equal the number of valence
electrons (from step 1).

74
How to draw Lewis structure
1. Count the total number of valence electrons

H2O

75
How to draw Lewis structure
2. Draw the skeletal structure with single bonds

H2O

76
How to draw Lewis structure
3. Count the number of electrons used in the bonds and
determine how many remain.

H2O

77
How to draw Lewis structure
4. Place electrons on terminal atoms to fill their octet (or duet for
H).

H2O

78
How to draw Lewis structure
5. Place remaining electrons on central atom to fill its octet.

H2O

79
How to draw Lewis structure
6. Check that each atom has enough electrons around it.

H2O

80
How to draw Lewis structure
7. Move electrons from terminal atoms to form double bonds so
that all atoms have eight electrons.

H2O

81
How many lone pairs of electrons can be
formed in the Lewis structure of NH3?
1. 0
2. 1
3. 2
4. 3

82
How to draw Lewis structure
1. Count the total number of valence electrons

CO2

83
How to draw Lewis structure
2. Draw the skeletal structure with single bonds

CO2

84
How to draw Lewis structure
3. Count the number of electrons used in the bonds and
determine how many remain.

CO2

85
How to draw Lewis structure
4. Place electrons on terminal atoms to fill their octet (or duet for
H).

CO2

86
How to draw Lewis structure
5. Place remaining electrons on central atom to fill its octet.

CO2

87
How to draw Lewis structure
6. Check that each atom has enough electrons around it.

CO2

88
How to draw Lewis structure
7. Move electrons from terminal atoms to form double bonds so
that all atoms have eight electrons.

CO2

89
Writing Lewis structures: Summary
1. Valence electrons
2. Skeletal structure
3. See how many electrons you have left
4. Lone pairs on terminal atoms for octet
5. Check each atom
6. Make multiple bonds if needed

90
Will all atoms in HCN have an octet if it
contains only single bonds?
A. YES
B. NO

91
How many bonds can hydrogen form?
A. 1
B. 2
C. 3
D. 4

92
Which of the following is the correct
Lewis structure for HCN

93
Which of the following is the correct
Lewis structure for CO32-?

94
Draw the Lewis structure for H2O

95
Draw the Lewis structure for H2CO

96
Draw the Lewis structure for CCl4

97
Draw the Lewis structure for NH3

98
Resonance Structures and Formal
Charges
• Learning Outcome
• Draw resonance structures of a molecule and identify the most stable
structure from a set of non-equivalent structures.

99
Resonance structures are two or more Lewis structures
for a single molecule that cannot be represented by only
one.
• Human invention·
• Use of two or more Lewis structures to represent a particular
molecule

100
SO2 has two possible, equivalent Lewis structures

Note the double-headed

arrow used to indicate
resonance

101
Resonance hybrid is the “average” of possible structures

Electrons not shifting back and forth

102
Benzene (C6H6)

H H
H C H H C H
C C C C
C C C C
H C H H C H
H H

103
Formal charge is the difference between valence
electrons in an atom and the number assigned to the
atom in the Lewis structure.
• Multiple Lewis structures that are not equivalent
• Electrons “bookkeeping”

104
Formal charge is calculated for each atom. Ideal
structure minimizes formal charge values (close to zero
as possible)

105
Things to remember about formal charges …

• Neutral molecule
• Sum of formal charge = zero
• Ions
• Sum of the formal charge = charge on ion
• Electronegative atoms are better able to handle negative
formal charges

106
Formal charge is the difference between valence
electrons in an atom and the number assigned to the
atom in the Lewis structure.

Cl Cl

O C Cl O C Cl

• C • C
• O • O
• Cl • Cl (single bond)
• Cl (double bond)

107
Which of the following sets gives the correct formal
charges for the elements in the Lewis structure below?

108
Why use formal charges?

• More than one possible structure

• Connectivity of atoms
• Determine most probable structure

109
What is the preferred Lewis structure for the cyanate
ion?

5.

110
Determine the formal charge on atoms in NH4+

111
Determine the formal charge on atoms in H2CO

112
Exceptions to the octet rule

• Learning Outcome
• Identify molecules that violate the octet rule and state the reason why

113
Incomplete Octet

• When less than 8 electrons surround the central atom

114
Molecules with an odd number of electrons cannot meet
the octet rule

115
Expanded Valence Shell

• Central atom has more than 8 electrons

• Atoms in the 2nd period cannot have an expanded valence shell
• Additional electrons go around the central atom

116
Examples

• BrF2

• PCl5

117
What is the correct Lewis structure for XeF2?

118