CNCS, Dept. of Chem.

CHAPTER TWO

CHEMICAL BONDING AND STRUCTURE

PREPARED BY ABREHAM TESFAYE

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 CNCS, Dept. of Chem.

1. Introduction
o Atoms combine to form compounds, clusters, molecules/
polyatomic ions is:
✓ to attain octet (eight) rules
✓ to have lower energy (to be stable)
✓ to have net attractive force

Exercise 1
1. Chemical bonds are formed when attraction forces are greater
than repulsion forces. (T/F)

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 CNCS, Dept. of Chem.

2. Which of the following is false about noble gases?

A. Have low electron affinity B. Lack of reactivity
C. All have ns2np6 electron configuration D. Obey octet rule
3. When chemical bonds are formed between atoms, which is incorrect
A. Tends to have lower potential energy
B. Achieve stable outermost shell configuration
C. Only their outer regions are in contact
D. Always respect octet rule
Note: Octet rule states that during the formation of a chemical
compound, each atom has an octet (8) electrons in its highest
occupied energy level by gaining, losing, or sharing electrons
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 CNCS, Dept. of Chem.

• A chemical bond is the attractive force that binds atoms together

in a molecule, or a crystal lattice.

There are four ways elements combine to form chemical bond

• Transferring /losing of their valence electrons (ionic bond)

• Gaining of extra (sea) of valence electrons (metallic bond)
• Sharing of valence electrons (covalent bond)
• Coordinating valence electrons (coordinate covalent bond)

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2. Types of chemical bonding

2. 1. Ionic bonding
Ions: are charged particles that are formed when atom gain or lose es.

Cations (positive ions): are formed when atoms lose electrons

are formed when metals lose electrons

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 CNCS, Dept. of Chem.

Anions (negative ions): are formed when atoms gain electrons

are formed when non-metals gain electrons

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 CNCS, Dept. of Chem.

Formation of ionic bond

✓ Formed by the transfer of electrons from the metal
(electropositive element ) to the non metals (electronegative)
elements
✓ The metal lose electrons and the non-metal gain it

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 CNCS, Dept. of Chem.
Favorable conditions for the formation of ionic compounds
• It needs low ionization energy from the metal
• It needs high electron affinity from the non-metal
• High lattice energy (high ionic charges)
• It is always exothermic process
Lattice energy
o The energy change occurring when gaseous ions come together to
form one mole of a solid ionic compound, or
o The enthalpy change required for one mole of the solid ionic
substance to be separated completely into ions far removed from
one another.
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 CNCS, Dept. of Chem.

The Born-Haber cycle for NaF(s)

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 CNCS, Dept. of Chem.
Steps in determining lattice energy
• Calculate the lattice energy of LiF
Step 1. Li (s) to gaseous Li atoms. Atomization (sublimation), has the
enthalpy change ΔH°atom. It involves breaking metallic bonds and
vaporizing the atoms, so it absorbs energy:

Li(s) ⟶ Li(g) ΔH°step 1 = ΔH°atom = 161 kJ

Step 2. F2 molecules to F atoms. This step involves breaking a covalent

bond, so it absorbs energy; this is the bond energy (BE) of F2. Since we
need 1 mol of F atoms to make 1 mol of LiF, we start with 0.5 mol of F2

F2(g) ⟶ F(g) ΔH°step 2 = 1/2 (BE of F2) = 1/2(159 kJ) = 79.5 kJ

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 CNCS, Dept. of Chem.

Step 3. From Li to Li+. Removing the 2s electron from Li absorbs energy

Li(g) ⟶ Li+(g) + e- ΔH°step 3 = IE1 = 520 kJ

Step 4. From F to F-. Adding an electron to F releases energy

F(g) + e- ⟶ F-(g) ΔH°step 4 = EA1 = -328 kJ

Step 5. From gaseous ions to ionic solid. This releases a lot of
energy. The enthalpy change for this step is unknown but by
definition, it is the lattice energy
Li+(g) + F-(g) ⟶ LiF(s) ΔH°step 5 = ΔH°lattice of LiF = ?

The enthalpy change of the combination reaction is

Li(s) + 1/2F2(g) ⟶ LiF(s) ΔH°overall = ΔH°f = -617 kJ
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 CNCS, Dept. of Chem.

ΔHf° = ΔH°step 1 + ΔH°step 2 + ΔH°step 3 + ΔH°step 4 + (ΔH°lattice of LiF)

ΔH°lattice of LiF = ΔHf° - (ΔH°step 1 + ΔH°step 2 + ΔH°step 3 + ΔH°step 4)

ΔH°lattice = -617 kJ - [161 kJ + 79.5 kJ + 520 kJ + (-328 kJ)] = -1050 kJ

Exercise 2
1. Which of the following is false about lattice energy
A. It is a major factor in influencing melting points
B. It cannot be directly measured
C. Its numerical value can be positive or negative depends on the route
D. It is determined from Hess’s law
E. None of the above
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 CNCS, Dept. of Chem.

2. Which of the following conditions is favorable to form ionic

bond/compounds.
a) High ionization energy of the metals
b) High electro-affinity of the nonmetals
c) Low lattice energy
d) High electro-negative property the of non-metals
e) Low electronegative property of the metals
f) Large distances between the charges of the ions
g) Smaller ions with higher ionic charge
3. Which of the following elements the most favors ionic solid formation?
A. Cl2 B. O2 C. N2 D. C
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 CNCS, Dept. of Chem.
Properties of ionic compounds
Exercise 3
1. They can be molecules
2. At ordinary conditions, they are crystalline solids
3. They have low melting and boiling points
4. They conduct electricity in molten/aqueous/ solid states
5. They have strong electrostatic force of attractions
6. Very large amount of energy is needed to break ionic bond.
7. Mobile ions in molten state are responsible for conduction of ionic
compounds.
8. They dissolve in both polar and non-polar solvents.

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 CNCS, Dept. of Chem.

2. 2. Covalent bonding
• Covalent Bond is formed as a result of electron sharing between
two non-metals (electronegative atoms).
• If the electronegativity values are very similar then non-polar
covalent bond is formed.
Example: F2, O2, N2 etc., contain non-polar covalent bond
• If the electronegativity values are much different, then polar
covalent bond is formed .
Example: H2O, HF, HCl etc., contain polar covalent bond

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 CNCS, Dept. of Chem.
Exercise 4
1. Provide a rule of thump for predicting bond types from electronegative values.
Answer:
Difference in Bond type Example
electronegativity (x)

< 0.5 Non-polar covalent or Cl-Cl (x = 0), Non-polar covalent

metallic CH4 (C-H), x= 0.35, Non-polar covalent
Li2 (x = 0), Metallic

0.5-2 (inclusive) Polar covalent H-Cl (x= 0.96), Polar covalent

>2 Ionic Na-Cl (x = 2.23), Ionic

• Electrons • Complete transfer of

• Electrons shared
shared equally one or more
unequally
• No charge on • Partial charge on
electrons
the atoms • Full charge on the
the atoms
ions

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 CNCS, Dept. of Chem.
2. Which of the following is false?
A. In non-polar molecules, electrons are shared equally
B. In polar covalent compounds, there is more electron cloud
in the more electronegative atom
C. In ionic compounds electrons are totally transferred
D. CO2 is polar covalent compound
3. Predict the following as polar or non-polar covalent molecule
a) H2 b) CH4 c) CCl4 d) HCl e) NH3 f) CS2 g) CHF3
4. Which of the following compound contains both ionic and covalent bonds?
A. HCl B. OF2 C. CaF2 D. MgSO4
5. How many valence electrons participate in the formation of O2 molecule?
A. 4 B. 2 C. 3 D. 1
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 CNCS, Dept. of Chem.
6. Of the following, the most polar bond is:
A. P – Cl B. Si – F C. S – O D. C – N
7. Why is CCl4 a nonpolar molecule, but PCl3 is a polar molecule?
8. The molecules CH4 and CH3Cl both have tetrahedral shapes. Why is CH4
nonpolar whereas CH3Cl is polar?
9. All molecules are compounds. True/False
10. All compounds are molecules. True/False
11. Ionic compounds are always formed from a metal cation and an non-metal
anion. True/False
12. The reason why noble gases generally do not form chemical bond is because

A. They are polar B. They are non polar

C. They have very unstable nuclei D. They have very stable electron configuration

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 CNCS, Dept. of Chem.

2. 3. Coordinate Covalent bonding

• Also called dative bond
• Formed when one atom donates both of the electrons to form a
single covalent bond.

2.4. Metallic bonding

• Results from the attraction between the metal ions and the
surrounding sea of electrons (delocalized/mobile) electrons

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 CNCS, Dept. of Chem.
o Ions and a ‘sea’ of delocalized electrons. The structure of a solid
metal consists of closely packed metal ions, arranged in a regular
way to form a metallic lattice structure.

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 CNCS, Dept. of Chem.
Exercise 5
1. Which of the following is false about dative bond
A. It has the dissimilar properties with any covalent bond
B. The donor atom must have lone pair of electrons
C. The acceptor atom at least one vacant orbitals
D. It can be formed between water and hydrogen ion
E. It can be formed between ammonia and hydrogen ion

2. Draw a Lewis structure that shows a dative bond between

a) HCl and H2O b) HCl and NH3 c) NH3 and BF3
3. Say true or false about the properties of covalent compound. Give reason
for the false answer
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 CNCS, Dept. of Chem.

a) They have relatively lower melting and boiling points

b) Sometimes they conduct electricity
c) They contain ions
d) They dissolve in non-polar solvents such as benzene, toluene, xylene and CCl4
e) Most of them are liquids and solids

4. Say true or false about metallic bond. Correct the statement which are false

a) Metals are arranged in layers of metal ions surrounded by delocalized electrons

b) Only limited electrons are delocalized in metal of metallic bond
c) Metallic bond consists of pairs of metal atoms joined together by strong bonds
d) Metals have low melting point because metallic bonds are strong and the metals
have lattice structure
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Intermolecular forces
 Are relatively weak forces of attraction that occur between
molecules.
A) Dipole–dipole attractions: occur between the positive end of one
molecule and the negative end of another in polar molecules.

Dipole-dipole interaction between H and CL

Other examples: It exist between water and ethyl alcohol

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B) London Dispersion forces: are the only intermolecular forces that

occur between nonpolar molecules and noble gases.

• The movement of electrons create temporary dipoles causing

induced-induced dipoles.

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 CNCS, Dept. of Chem.

• As the atomic number increase, the London dispersion forces

increases
Note: London/Dispersion forces and Dipole-dipole forces are called Van
der Waal's forces

C) Hydrogen bonding
• Formed between hydrogen atoms bonded to highly electronegative
atoms of nitrogen, oxygen, or fluorine form especially strong dipole–
dipole attractions.

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 CNCS, Dept. of Chem.

• They are a major factor in the formation and structure of biological

molecules such as proteins and DNA.

Exercise 6
1. Arrange the following bonds and intermolecular forces of attraction
in increasing order of strength. Covalent bond, Dipole-dipole, Ionic
bond, Hydrogen bond, dispersion forces.
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2. Which of the following has the highest boiling points.

A. He B. Ar C. Kr D. Rn

3. Indicate the major types of intermolecular forces

a) HF b)Br2 c)PCl3 d) H2S e) Ar f) HCl g)H2O2

4. Why H2O is a liquid, whereas H2S is a gas at room temperature?

5. Say true or false and provide reason for the false question

a) Ionic compounds contain intermolecular forces

b) Dipole exist because of the presence of uneven distribution of
electrons

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c) Van der Waal’s force comprise Dipole-dipole and London dispersion

forces
d) The low boiling points of noble gases and non-polar molecules is
explained by London dispersion forces.

6. Identify the substance in each of the following pairs that would have the
higher boiling point, and explain your choice:

a. HF or HBr b. HF or SF2 c. Br2 or PBr3 d. CH4 or CH3OH

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 CNCS, Dept. of Chem.
Drawing the Lewis structure for molecular compounds
Example: 1. Draw the Lewis structure of PCl3
Step 1: Determine the central atom. The more electropositive atom is the
central atom. In this case the central atom is P because there is only one P
atom.
Step 2: Determine the total number of valence electrons.
Element A. number Atoms Valance Total
electrons
P 15 1P 5 5

Cl 17 3Cl 7 21

Total valance electrons 26

Step 3: Attach each bonded atom to the central atom with a pair of electrons

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26 valence e- - 6 bonding e- = 20 e-
remaining

Step 4: Use the remaining electrons to complete octets

Example: 2. Draw the Lewis structure of ClO2-

Element A. number Atoms Valance Total

electrons
O 8 2O 6 12

Cl 17 Cl 7 7

Ionic charge (negative) add 1 1

Total valance electrons 20

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• Attach each bonded atom to the central atom with a pair of electrons

• Use the remaining electrons to complete the octets

Lewis Structure for Double and Triple Bonds

Example: Draw the Lewis structure of CO2
Element A. number Atoms Valance Total
electrons
O 8 2O 6 12

O 6 1C 4 4

Total valance electrons 16

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• Attach each bonded atom to the central atom with a pair of electrons

• Use the remaining electrons to complete the octets

To obtain an octet, the C atom must share pairs of electrons from each of the
O atoms and it becomes double bond

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Resonance structure: Resonance occurs when we can draw two or more
Lewis structures for the same molecule or ion
Example: This molecule has 6 × 3 = 18 valence electrons, and it is
possible to draw two possible structures for O3.

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 CNCS, Dept. of Chem.

Example: Draw the resonance structure of the following

a) ClNO2 b) OCN-

Exception to the octet rule

1. Less than octet (central atom is deficient)
• Molecules containing central atoms from Group IIA and IIIA

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2. More than octet (central atom has excess of electrons)

Example:

3. Molecules containing an odd number of electrons

Example: ClO2, NO2 and NO

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Use of valence electron to draw Lewis structure

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3. Valence Shell Electron Pair Repulsion Theory (VSEPR) &
Molecular Geometry
✓ Its basic principle is that, to minimize repulsions, each group of
valence electrons around a central atom is located as far as
possible from the others.
Classifying Molecular Shapes based on VSEPR
To classify molecular shapes, we assign each a specific AXmEn designation,
where m and n are integers. In such a designation,

• A is the central atom;

• X is a surrounding atom (bonding atom); and
• E is a nonbonding valence-electron group (usually a lone pair)
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1. Molecules with two electron group (Linear shape)- AX2

Example: CS2, HCN, BeF2, CO2 Geometry: Linear

2. Molecules with three electron group (trigonal arrangement)
2.1. All bonding groups: trigonal planar shape (AX3)
BF3
Example: SO3, BF3, NO3-, CO32-
Geometry: Trigonal

2.2. One lone pair: bent or V shape (AX2E)

Examples: SO2, O3, PbCl2, SnBr2
Geometry: Trigonal

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o A lone pair repels bonding pairs more than bonding pairs repel each
other, so it decreases the angle between bonding pairs
Order of repulsion
Lone pair-lone pair > lone pair-bonding pair > bonding pair-bonding pair

Effect of Double bonds on bond angle

The actual H-C-H angle in CH2O (formaldehyde) bond angle is less than the
ideal 120° because the greater electron density of a double
Ideal Actual

Electron repulsion: Lone pair > triple bond > double bond > single bond

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 CNCS, Dept. of Chem.
3. Molecular Shapes with Four Electron Groups (Tetrahedral Arrangement)
3.1. All bonding groups: tetrahedral shape (AX4)
Examples: CH4, SiCl4, SO2− −
4 , ClO4

Geometry: Tetrahedral

3.2. One lone pairs: trigonal pyramidal shape (AX3E)

Examples: NH3, PF3 ClO−

3 , H3O
+

Geometry: Tetrahedral

3.3. Two lone pairs: bent or V shape (AX2E2)

Examples: H2O

Geometry: Tetrahedral

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 CNCS, Dept. of Chem.
4. Molecular Shapes with Five Electron Groups (Trigonal Bipyramidal
Arrangement)
4. 1. All bonding groups: trigonal bipyramidal shape (AX5)
Examples: PF5, AsF5, SOF4

Geometry: Trigonal bipyramidal

4. 2. One lone pair: seesaw shape (AX4E)

The lone pair, which can be placed in any of the
three equatorial positions, repels all four bonding
pairs, reducing the bond angles to 101.5° and 86.8°

Examples: SF4, XeO2F2, lF4+, IO2F–2

Geometry: Trigonal bipyramidal
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4.3. Two lone pairs: T shape (AX3E2) 4.4. Three lone pairs: linear shape (AX2E3)

Geometry:
Trigonal
bipyramidal

Examples: ClF3, BrF3 Examples: XeF2, I3–, IF2–

5. Molecular Shapes with Six Electron Groups (Octahedral Arrangement)

5.1. All bonding groups: octahedral shape (AX6) - 120°

Examples: SF6, IOF5

Geometry: Octahedral

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5.2. One lone pair: square pyramidal shape (AX5E)

Examples: BrF5, TeF5–, XeOF4

Geometry: Octahedral

5.3. Two lone pairs: square planar shape (AX4E2)

Examples: XeF4, ICl4–

Geometry: Octahedral

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Exercise 7
1. Choose the shape (1 to 6) that matches each of the following descriptions
(a to c):
1. linear 2. bent (109°) 3. trigonal planar 4. bent (120°) 5. trigonal
pyramidal 6. tetrahedral
a. a molecule with a central atom that has four electron groups and two
bonded atoms
b. a molecule with a central atom that has two electron groups and two
bonded atoms
c. a molecule with a central atom that has three electron groups and two
bonded atoms

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2. Complete each of the following statements for a molecule of H2S:

a. There are _______ electron groups around the central S atom.
b. The electron-group geometry is _______.
c. The number of atoms attached to the central S atom is _______.
d. The shape of the molecule is _______.

3. Use VSEPR theory to predict the shape of each of the following:

a. GaH3 b. OF2 c. HCN d. CCl4 e. SO42-

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4. Bonding Theories
1. Valance Bond (VB) Theory
✓ States that covalent bond forms when orbitals of two atoms overlap
and the overlap region, which is between the nuclei, is occupied by a
pair of electrons.
✓ That means their wave functions are in phase

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Overlap of Atomic Orbitals (Sigma and Pi Bonds)

• Various type of atomic orbital overlap leads to covalent bond formation.

Three simple basic ones are s-s , s-p and p-p

 s-s overlap in which half filled s orbitals overlap.

 s-p overlap where half filled s orbital of one atom overlaps

with one of the p orbital having one electron only.

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 p-p overlap in which two half filled p orbitals overlap.

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P- orbitals overlap in two ways

1. End to end/ head to head/linear overlap: this kind of overlap produce
sigma bond
2. Side to side/lateral/parallel overlap: this kind of overlap produce pi bond.

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✓ s - s and s - p will always overlap along the nuclear axis, hence

results only in sigma bonds.

Note:
• All sigma bond has its highest electron density along the bond axis.
• Pi bond has two regions of electron density. One above and one below
the sigma bond axis.
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Types of hybridization
1. sp hybridization
• When two electron groups surround the central atom, we observe a linear shape.
Example: BeCl2: Be has 2 core electrons (CE) and 2 valence electrons (VE)

Note: It is only the VE involve in hybridization of orbitals

CE VE

1s
Ground state Be atom Exited state Be atom

• 2 sp hybridized equivalent orbitals

• 50% p and 50% s character
• It is used for linear arrangement
• 2 unhybridized p orbitals

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The sp-hybridization scheme illustrated

Hybridization

o Overlap of Be and Cl orbitals to form BeCl2. The 2s Be with 3p of Cl and

2p of Be with 3p of Cl were hybridized.

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2. sp2 hybridization
• Mixing one s and two p orbitals gives three sp2 hybrid orbitals that point to the
corners of an equilateral triangle, their axes 120° apart
Example: B in BCl3

Ground state B atom Exited state B atom

• 3 sp2 hybridized equivalent orbitals

• ~ 67% p and ~33% s character
• It is used for trigonal arrangement
• 1 unhybridized p orbitals
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3. sp3 hybridization
• One s and three p orbitals mix and produce 4 sp3 hybrid orbitals
Example: C in CH4

Ground state C atom Exited state C atom

• 4 sp3 hybridized equivalent orbitals

• ~ 75% p and ~25% s character
• It is used for tetrahedral arrangement
• 0 unhybridized p orbitals

Note: sp3 hybridization is used for AX4 (CH4), AX3E (NH3) and AX2E2 (H2O) type

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4. sp3d hybridization
• One s, 3p and 1d mix and provide 5 sp3d hybrid orbitals
Example: P in PCl5

Ground state P atom Exited state P atom

• 5 sp3d hybridized equivalent orbitals

• 60% p, 20% d and 20% s character
• It is used for triagonal bipyramidal
arrangement
• 4 unhybridized d orbitals

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4. sp3d2 hybridization
• One 1, 3p and 2d orbitals mix and provide 6 sp3d2 hybrid orbitals
Example: S in SF6

Ground state S atom Exited state S atom

• 6 sp3d2 hybridized equivalent orbitals

• 50% p, ~ 33.3 d, and ~ 16.7% s character
• It is used for octahedral arrangement
• 3 unhybridized d orbitals

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Review of the hybridization for the different arrangements

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Orbital Overlap in Single and Multiple Bonds

1. Ethane (C2H6): is tetrahedral at both carbons with bond angles near
the ideal 109.5°

o Each of the six C-H bonds is formed by the overlap of the end of a sp3
hybrid orbital on the C atom with the 1s orbital of a hydrogen atom.
o Each bond in ethane is a sigma (σ) bond.
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o The σ bonds in ethane (C2H6). A,

Depiction using atomic orbitals.

2. Ethylene (C2H4): each C atom is sp2 hybridized

o The unhybridized 2p orbital lies perpendicular to the sp2 plane.
o Two sp2 orbitals of each C form C-H σ bonds. The third sp2 orbital forms a σ
bond with the other C.

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o In the two C atoms the unhybridized 2p

orbitals overlap to form a pi (π) bond.

The σ and π bonds in The C-C σ and the four C-H σ bonds An accurate depiction of the 2p
ethylene (C2H4) with the unhybridized 2p orbitals orbitals shows the side-to-side
overlap
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3. Acetylene (C2H2): each C atom is sp hybridized, and its four valence

electrons half fill the two sp hybrids and the two unhybridized 2p orbitals:

o Each C forms a C-H σ

bond with one sp orbital
and a C-C σ bond with the
other.

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Two lobes of one

pi bond

o Side-to-side overlap of one pair of unhybridized 2p orbitals gives one π

bond, with electron density above and below the σ bond.
o Side-to-side overlap of the other pair of unhybridized 2p orbitals gives
another π bond, 90° away from the first, with electron density in front and
back of the σ bond
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Exercise 8
Say true or false and provide reason for the false answer

1. Valence bond theory is used to explain bond formation in covalent

molecules.
2. In valence bond theory, electrons are treated as waves.
3. VB theory is explain about the sharing of electron density between the
nucleus of an atoms.
4. Overlap of s-s and s-p orbitals provide sigma and pi bonds
5. All sigma bonds have their electron density concentrated along the
bond axis.
6. Single bonds contains pi bonds.
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7. Double bond contains 1 sigma and one pi.

8. End-to-end overlap results in a bond with electron density above and
below the bond axis.
9. The hybridized atomic orbitals in alkane, alkene and alkyne are sp3, sp2 and
sp respectively.
10. P-P orbitals overlap provide only pi bonds.
11. The hybridization of the central atom in H2O, NH3 and SF4 are _____,
______ and _______ respectively.
12. Describe a hybridization scheme for the central atom and molecular
geometry of the triiodide ion, I3–.

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2. Molecular orbital theory (MO)

• In MO theory, electrons are treated as wave.
• According to MO, when two nuclei lie near each other, their AOs
overlap and combine in two ways
Bonding molecular orbitals Anti-bonding molecular orbitals

• Adding the wave functions • Subtracting the wave functions from

together each other.
• have a region of high electron • have region of zero electron density (a
density between the nuclei. node) between the nuclei.
• AO atom A1 + AO of atom A2 • AO of atom A1 – AO of atom A2

Note: The number of orbitals in both MO and AO are equal.

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Non -bonding MOs

Bonding MOs

o A bonding MO is lower in energy than the o An antibonding MO is higher in energy

AOs that form it. Because the electron than the AOs that form it. With most of
density is spread mostly between the nuclei, the electron density outside the
nuclear repulsions decrease while nucleus- internuclear region and a node between
electron attractions increase the nuclei, nuclear repulsions increase

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Electron Configuration of Diatomic Molecules

We apply the following two key principles and one rule

✓ The Aufbau principle: The sub-shells with lower energy filled

first followed by the next energy level

✓ The Pauli exclusion principle: An molecular orbitals can hold a

maximum of two electrons with opposite spins.

✓ Hund’s rule: Orbitals of equal energy are half-filled, with electron

spins parallel, before any of them are paired.

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Molecular orbitals from 2p atomic orbitals

• The three 2p orbitals in a molecule provides pi (py and pz) and sigma (px)
bond
𝜎2𝑝𝑥 𝜋2𝑝𝑦 𝜋2𝑝𝑧
2px ∗ 2py 2pz ∗
𝜎 2𝑝𝑥 ∗
𝜋 2𝑝𝑦 𝜋 2𝑝𝑧
For simple homonuclear diatomic molecules, the electron configuration is
o For total electrons ≤ 14

o For total electrons > 14

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Interms of molecular orbital (MO) diagram, it is given as follows:
For total electrons ≤ 14 For total electrons > 14
MO

AO AO AO AO

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Bond order: It is used to explain stability of molecules
σ 𝐵𝑜𝑛𝑑𝑖𝑛𝑔 𝑒𝑙𝑒𝑐𝑡𝑟𝑜𝑛𝑠 − σ 𝐴𝑛𝑡𝑖𝑏𝑜𝑛𝑑𝑖𝑛𝑔 𝑒𝑙𝑒𝑐𝑡𝑟𝑜𝑛𝑠
Bond order (BO) =
2
Note
o A bond order is > 0 means the molecule is stable/exist
o A bond order is < 0 the molecule is not stable or does not exist
o The greater the bond order the stronger the bond
Paramagnetic and diamagnetic
Paramagnetic: The species is attracted by an external magnetic field
A species with unpaired electrons
Diamagnetic: The species is not attracted by an external magnetic field
A species with all the electrons are paired
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1) Construct the MO diagram for H2, He2, He2+ Li2, Be2
H2 molecule

• BO = (BE-ABE)/2 = 2-0/2 = 1 • BO = (BE-ABE)/2 = 2-2/2 = 0

• The molecule is stable • The molecule does not exist
• Diamagnetic • Diamagnetic

• BO = (BE-ABE)/2 = 2-1/2 = 1/2

• The molecule is stable
• Paramagnetic

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Li2 molecule Be2 molecule

• BO = (BE-ABE)/2 = 4-2/2 = 1 • BO = (BE-ABE)/2 = 4-4/2 = 0

• The molecule is stable • The molecule does not exist
• Diamagnetic • Diamagnetic
Key differences between MO theory and VB theory
• VB theory pictures a molecule as a group of atoms bonded through overlapping of
valence-shell atomic and/or hybrid orbitals occupied by localized electrons.
• MO theory pictures a molecule as a collection of nuclei with orbitals that extend over
the whole molecule and are occupied by delocalized electrons
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Draw the molecular orbital diagram of B2 and O2
B2 O2
O2

• BO = (BE-ABE)/2 = 6-4/2 = 1 • BO = (BE-ABE)/2 = 10-6/2 = 2

• The molecule is stable • The molecule is stable
• Paramagnetic • Paramagnetic
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Draw the molecular orbital diagram of N2 and N+2, O2 and O2+
O2

BO = 8-2/2 = 3 BO = 7-2/2 = 2.5 BO = 8-4/2 = 2 BO = 8-3/2 = 2.5

The molecule is stable The molecule is stable The molecule is stable The molecule is stable
Diamagnetic Paramagnetic Paramagnetic Paramagnetic

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Exercise 9
Say true or false for the following statements

1. A node is a region where a bond cannot form

2. As bond order increase, stability decrease.
3. As bond order increase, the energy of the molecule is higher.
4. As bond order increase, bond length decreases.
5. There are four degenerate pi orbitals in 2p orbitals.
6. Bond order 1, 2, and 3 are single, double and triple bond respectively.
7. Bonding molecular orbital has higher energy than antibonding molecular
orbital.
8. A bonding MO is higher in energy than the AOs that form it.
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9. An antibonding MO is lower in energy than the AOs that form it.

10. Which of the following is/are true?

A. C22+ is diamagnetic B. N2- has a bond order of 2.5
C. F22- exist D. B2- stronger and shorter bond than B2.
11. A__________ is an orbital is the region of high electron density between
the nuclei where a bond forms
12. An_________ is an orbital is the region that has zero electron density

Types of Crystal

Read your grade 11 text book (page: 185 - 188)

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Answer to Exercises
Exercise 1
1. True 2. C 3. D

Exercise 2
1. E 2. a) Unfavorable b) Favorable c) Unfavorable d) Favorable
e) Favorable f) Unfavorable g) Favorable

Exercise 3
1. False 2. True 3. False 4. False (in solid state ionic compounds do not conduct
electricity) 5. True 6. True 7. True 8. False (they dissolve with polar solvent)

Exercise 4
1. The answer is already provided in the text 2. D 3. a, b, c and f are non-polar; d,
e, and g are polar 4. D 5. B 6. B 7. True

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7. CCl4 ha tetrahedral shape and it is symmetrical. Even though the bond is polar, the dipole
moment is cancel and the molecule is non-polar. In PCl3, the shape this molecule is trigonal
pyramid and it is unsymmetrical due to the lone pair in the central atom and the dipole
moment do not cancel.
8. First of all the electronegativity difference between C and H = 2.5. – 2.1 = 0.4 (which is
less than 0.5 and make this molecules non-polar). Additionally, CH4 tetrahedral and
symmetrical and their dipole moment cancel. In Ch3Cl, the Cl-H bond make the whole
molecule unsymmetrical and there is a net dipole moment towards the chlorine.

9. False (For example, H2 is a molecule but it is not a compound)

10. False (For example, ionic compounds are not molecules) 11. True 12. D

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Exercise 5
1. A 2. a and b

2. c

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3 a) True b) False c) True d) True e) F (The only liquid non-metal is Br)

4 a) True b) True c) True d) False (they have high melting point)
Exercise 6
1. Ionic bond > Covalent bond > hydrogen bond > Dipole-dipole > dispersion forces 2. As the
atomic number increase, dispersion forces increase and the boiling point also increase Answer
D 3 a) Hydrogen bond b) London dispersion c) Dipole-dipole d) Dipole dipole
e) London dispersion f) Dipole-dipole g) Hydrogen bond 4. In water, the inter
molecular forces of attraction is hydrogen bond; in H2S, the intermolecular forces of attraction
is dipole-dipole. Hydrogen bond is stronger than, dipole-dipole interaction and this is the
reason that water is liquid at room temperature. The same reason holds true for noble gases.
They are connected by the weak London/dispersion forces make them gas at room
temperature.
5. a) False (the ions in ionic compounds are held together by electrostatic forces of attractions)
b) True c) True d) True
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6. a) HF-hydrogen HBr-Dipole-dipole: HF has high BP

a) HF-hydrogen SF2-Dipole-dipole: HF has high BP
c) PBr3- dipole-dipole Br2- is London dispersion: PBr3 has high BP.
d) CH3OH- hydrogen CH4 - London dispersion CH3OH has high BP

Exercise 7
1. a) 4 b) 1 c) 2 2. a) 4 b) Tetrahedral c) 2 d) V-shape
3. a) Trigonal b) V-shape c) Linear d) Tetrahedral e) Tetrahedral

Exercise 8

1. True 2. True 3. True 4. False (s-s, s-sp and p-p gives sigma, but p-p gives pi bond)
5. True 6. False 7. True 8. False (along the axis) 9. True 10. False (it has
also sigma bond) 11. sp3, sp3 and sp3d 12. Arrangement: Triagonal bipyramidal; shape
linear; Hybridization: sp3d

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Exercise 9
1. True 2. True 3. False (energy decrease because stability increase) 4. True
5. True 6. True 7. False (the opposite it true) 8. False (they are lower)
9. False (they are higher) 10. (practice the MO diagram and answer this question).
11. Bonding orbital 12 .Anti-bonding orbital

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