SJCS-Adama Summer Course Chemistry Module 5 2024

BONDING THEORIES
Lewis structures and VSEPR theory, while useful for predicting molecular geometry, do not
provide any information about bond formation. In chemistry, two primary bonding theories
describe how atoms form bonds:
• Valence Bond Theory: Chemical bonds are formed when atomic orbitals overlap.
• Molecular Orbital Theory: A quantum mechanical treatment of bonding that describes the
electronic structure of molecules.
Valence Bond Theory (VBT)
Atoms share valence electrons when an incompletely filled atomic orbital (AO) of one atom
overlaps with an atomic orbital of another atom. A bond forms when the resulting molecule has
lower energy than the original free atoms. The strength of the bond is determined by the extent of
orbital overlap; greater overlap results in a stronger bond.
➢ Lower energy state: The formation of a covalent bond via orbital overlap results in a molecule
with a lower potential energy compared to the separate atoms, making the bonded state more
stable.
Example: Hydrogen Molecule (H2):
The bond forms due to the overlap of two 1s orbitals, each containing one electron, resulting in a
stable molecule with a σ bond.
Hybrid Orbitals
Hybridization
To explain bonding in some molecules, we must use the concept of hybridization, where two or
more atomic orbitals combine to form the same number of hybrid orbitals with new energies and
shapes. Hybridization helps in understanding the geometry and bonding properties of molecules.
Hybrid orbitals from s- and p-orbitals:
• sp hybridization: combination of 1 s-orbital and 1 p-orbital to form 2 sp hybrid orbitals.
• sp2 hybridization: combination of 1 s-orbital and 2 p-orbitals to form 3 sp2 hybrid orbitals.
• sp3 hybridization: combination of 1 s-orbital and 3 p-orbitals to form 4 sp3 hybrid orbitals.

Hybrid orbitals from s-, p- and d-orbitals:

• sp3d hybridization: combination of 1 s-orbital, 3 p-orbitals and 1 d-orbital to form 5 sp3d
hybrid orbitals.
• sp3d2 hybridization: combination of 1 s-orbital, 3 p-orbitals and 2 d-orbital to form
6 sp3d2 hybrid orbitals.

Hybridization and Geometry

Hybrid orbitals are not used to predict molecular geometries; rather, the molecular geometry and
bond angles of a molecule must be known to use hybrid-orbital theory effectively. The number
of electron domains around the central atom determines its geometry and thus its hybridization:
• 2 electron domains ⇒ linear (bond angle: 180°) ⇒ sp hybridization
• 3 electron domains ⇒ trigonal planar (bond angle: 120°) ⇒ sp2 hybridization
• 4 electron domains ⇒ tetrahedral (bond angle: 109.5°) ⇒ sp3 hybridization
• 5 electron domains ⇒ trigonal bipyramidal (bond angles: 90° & 120°) ⇒ sp3d hybridization
• 6 electron domains ⇒ octahedral (bond angle: 90°) ⇒ sp3d2 hybridization
Example PCl5: 5 electron domains on the central atom ⇒ sp3d hybridization
SF6: 6 electron domains on the central atom ⇒ sp3d2 hybridization

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SJCS-Adama Summer Course Chemistry Module 5 2024

Single and Multiple Bonds

σ bond vs. π bond
➢ σ bond: Formed by the head-on overlap of orbitals along the internuclear axis.
It can result from the overlap of two s orbitals, an s orbital with a p orbital, or two p orbitals.
➢ π bond: Formed by the side-by-side overlap of two p orbitals.
The overlap occurs above and below the internuclear axis.

Types of covalent bonds:

• A single bond consists of 1 σ bond (2 e- are shared between the atoms).
• A double bond consists of 1 σ bond and 1 π bond (4 e- are shared). The presence of a π
bond restricts rotation, resulting in a fixed planar structure around the bond, as seen in
alkenes.
• A triple bond consists of 1 σ bond and 2 π bonds (6 e- are shared). The addition of a second
π bond further restricts rotational motion and results in a linear geometry, as seen in
alkynes.

Molecular Orbital Theory:

Molecular orbital theory describes the orbitals of a molecule as bonding and antibonding
combinations of atomic orbitals (AOs). In this theory, atomic orbitals combine to form molecular
orbitals (MO) that are associated with the entire molecule rather than individual atoms.
• The number of MOs formed equals the number of AOs combined.
• Molecular orbitals can be classified as σ or π depending on their orientation relative to the
internuclear axis: σ orbitals lie directly along the internuclear axis, while π orbitals do not
lie along the internuclear axis, involving side-by-side overlap.
• MO Theory explains not only bond formation but also the magnetic properties of molecules.

Bonding MO vs. antibonding MO:

Molecular orbitals are formed by the linear combination of atomic wave functions:
• Bonding molecular orbital: It is lower in energy than the atomic orbitals (AOs) that
combined to form it. Electrons in bonding MOs contribute to bond strength and stability.
• Antibonding molecular orbital: It is higher in energy than the AOs that combined to form it.
Electrons in antibonding MOs weaken the bond and decrease stability.

Molecular Orbital Diagrams

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SJCS-Adama Summer Course Chemistry Module 5 2024

Molecular orbitals in homonuclear diatomic species

The relative energy levels of MOs for homonuclear diatomic molecules are determined by the
combination of AOs from each atom:
• N2: The π2p orbitals are lower in energy than the σ2p orbital due to less effective overlap in
the case of lighter atoms.
• O2, F2,: The σ2p orbital is lower in energy than the π2p orbitals due to more effective overlap
in the case of heavier atoms.

Bond order:
Bond order is a measure of the stability of a bond within a molecule. The higher the bond order,
the more stable the molecule. It can be determined using a molecular orbital (MO) diagram and is
calculated using the formula:
Bond order = 1/2 [number of e- in bonding orbitals - number of e- in antibonding orbitals]
Example H2 ⇒ one σ bond ⇒ Bond order = 1
O2 ⇒ one σ bond and one π bond ⇒ Bond order = 2
N2 ⇒ one σ bond and two π bond ⇒ Bond order = 3
Paramagnetic vs. Diamagnetic
The magnetic properties of a molecule are determined by the presence or absence of unpaired
electrons in its molecular orbitals:
• Paramagnetic species: Contains unpaired electrons and is weakly attracted to a magnetic
field.
• Diamagnetic species: It does not contain unpaired electrons and is weakly repelled by a
magnetic field.
Example
➢ Oxygen molecule (O2) is paramagnetic due to the presence of unpaired electrons in its π*2p
antibonding orbitals.
• Nitrogen molecule (N2) is diamagnetic because all electrons are paired in its molecular
orbitals.

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SJCS-Adama Summer Course Chemistry Module 5 2024

Review Questions
1. Which of the following statements is correct according to Valence Bond Theory?
a) Covalent bonds are formed by the complete transfer of electrons.
b) A covalent bond is formed by the overlap of atomic orbitals.
c) In a covalent bond, the overlapping orbitals must be perpendicular.
d) Valence Bond Theory does not explain the formation of covalent bonds.
2. What type of hybridization is involved in the carbon atom of methane (CH₄)?
a) sp b) sp² c) sp³ d) sp³d
3. In the molecule of ethene (C₂H₄), what is the hybridization of the carbon atoms?
a) sp b) sp² c) sp³ d) sp³d
4. Which of the following molecules has sp hybridization?
a) BeCl₂ b) NH₃ c) H₂O d) SF₆
5. Which of the following shapes is associated with sp³ hybridization?
a) Linear b) Trigonal planar c) Tetrahedral d) Octahedra
6. In the molecule of BF₃, the boron atom is hybridized as:
a) sp b) sp² c) sp³ d) sp³d
7. Which of the following orbitals overlap to form a sigma bond in the H₂ molecule?
a) s-s b) s-p c) p-p d) d-s
8. In which of the following molecules does the central atom use sp³d hybridization?
a) PCl₅ b) CH₄ c) CO₂ d) SF₄
9. How many sigma (σ) and pi (π) bonds are present in a molecule of ethyne (C₂H₂)?
a) 2 σ and 2 π b) 3 σ and 2 π c) 3 σ and 1 π d) 2 σ and 1 π
10. The angle between the bonds in a molecule with sp² hybridization is:
a) 90° b) 109.5° c) 120° d) 180°
11. Which of the following pairs of molecules has the same type of hybridization?
a) NH₃ and H₂O b) CO₂ and BeCl₂ c) BF₃ and CH₄ d) SF₆ and PCl₅
12. The hybridization of the central atom in SF₆ is:
a) sp³ b) sp³d c) sp³d² d) sp²
13. What is the bond angle in a molecule of water (H₂O), considering the hybridization of the
oxygen atom?
a) 90° b) 104.5° c) 109.5° d) 120°
14. Which statement is correct regarding the bonding in the molecule of ammonia (NH₃)?
a) The nitrogen atom is sp hybridized. c) The nitrogen atom is sp³ hybridized.
b) The nitrogen atom is sp² hybridized. d) The nitrogen atom is sp³d hybridized.
15. According to Valence Bond Theory, which of the following correctly describes a sigma (σ)
bond?
a) It is formed by the side-by-side overlap of p orbitals.
b) It is formed by the head-to-head overlap of atomic orbitals.
c) It is weaker than a pi (π) bond.
d) It does not involve the overlap of orbitals.
16. Which of the following statements is true about a pi (π) bond?
a) It is formed by the end-to-end overlap of orbitals.
b) It is always formed after a sigma bond is formed.
c) It allows free rotation around the bond axis.
d) It is stronger than a sigma bond.
17. In the molecule of ethyne (C₂H₂), how many sigma (σ) and pi (π) bonds are present?
a) 1 σ and 2 π c) 3 σ and 1 π
b) 2 σ and 2 π d) 3 σ and 2 π
18. How many sigma (σ) and pi (π) bonds are present in the molecule of benzene (C₆H₆)?
a) 6 σ and 6 π c) 6 σ and 3 π
b) 12 σ and 3 π d) 12 σ and 6 π

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SJCS-Adama Summer Course Chemistry Module 5 2024

19. Which of the following molecules does not contains both sigma (σ) and pi (π) bonds?
a) CH3COOH b) O₂ c) CO₂ d) Cl₂
20. How many sigma (σ) and pi (π) bonds are in a molecule of propene (C₃H₆)?
a) 6 σ and 1 π c) 7 σ and 0 π
b) 8 σ and 1 π d) 6 σ and 2 π
21. In the molecule of ethene (C₂H₄), what is the total number of sigma (σ) and pi (π) bonds?
a) 4 σ and 2 π c) 3 σ and 2 π
b) 5 σ and 1 π d) 2 σ and 4 π
22. Which of the following types of bond overlap results in a sigma bond only?
a) s-s overlap c) d-d sideways overlap
b) p-p sideways overlap d) p-p side-to-side overlap
23. In acetylene (C₂H₂), how many total bonds (sigma and pi) are there between the two carbon
atoms?
a) 1 σ and 1 π c) 3 σ and π
b) 1 σ and 2 π d) 1 σ and 3 π
24. In the carbon dioxide (CO₂) molecule, how many sigma (σ) and pi (π) bonds are formed
between the carbon atom and the oxygen atoms?
a) 2 σ and 2 π c) 1 σ and 2 π
b) 2 σ and 1 π d) 1 σ and 1 π
25. In the formaldehyde molecule (H₂CO), how many sigma (σ) and pi (π) bonds are present?
a) 2 σ and 2 π c) 2 σ and 1 π
b) 3 σ and 1 π d) 4 σ and 1 π
26. According to Molecular Orbital Theory (MOT), which of the following statements is correct?
a) Electrons in bonding molecular orbitals decrease the stability of the molecule.
b) Electrons in antibonding molecular orbitals increase the stability of the molecule.
c) Bonding molecular orbitals are lower in energy than the corresponding antibonding
molecular orbitals.
d) Antibonding molecular orbitals are lower in energy than bonding molecular orbitals.
27. The bond order of a molecule can be calculated using the formula:
a) (Number of bonding electrons - Number of antibonding electrons) / 2
b) (Number of antibonding electrons - Number of bonding electrons) / 2
c) (Number of bonding electrons + Number of antibonding electrons) / 2
d) (Number of antibonding electrons + Number of bonding electrons) / 2
28. What is the bond order of the nitrogen molecule (N₂) based on Molecular Orbital Theory?
a) 1 b) 2 c) 3 d) 4
29. According to MOT, which of the following molecules/ions is paramagnetic?
a) O₂ b) N₂ c) F₂ d) CO
30. Which of the following statements is true about the bond order and stability of a molecule?
a) A higher bond order generally indicates a more stable molecule.
b) A bond order of zero means the molecule is highly stable.
c) A lower bond order always indicates a paramagnetic molecule.
d) The bond order is always equal to the number of electrons in bonding orbitals.
31. What is the bond order of the oxygen molecule (O₂) according to MOT?
a) 1 b) 2 c) 3 d) 4
32. Which of the following species has the same bond order as the O₂ molecule?
a) N₂ b) F₂ c) O₂⁺ d) CO
33. Based on Molecular Orbital Theory, which of the following molecules is diamagnetic?
a) O₂ b) B₂ c) C₂ d) O₂⁻
34. What is the bond order of the helium molecule (He₂) according to MOT?
a) 0 b) 1 c) 2 d) 3
35. According to Molecular Orbital Theory, the bond order of a diatomic molecule is zero. This
implies that:
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SJCS-Adama Summer Course Chemistry Module 5 2024

a) The molecule is stable. c) The molecule is highly reactive.

b) The molecule does not exist under normal conditions. d) The molecule has a triple bond.
36. In which of the following species is the bond order greater than that of the neutral O₂
molecule?
a) O₂⁻ b) O₂⁺ c) O₂²⁻ d) F₂
37. Which of the following diatomic molecules has the highest bond order?
a) O₂ b) N₂ c) F₂ d) B₂
38. Based on MOT, which molecule has unpaired electrons in its molecular orbitals?
a) C₂ b) N₂ c) O₂ d) F₂
39. What is the magnetic property of the NO molecule according to Molecular Orbital Theory?
a) Paramagnetic with one unpaired electron. c) Paramagnetic with two unpaired electrons.
b) Diamagnetic with no unpaired electrons. d) Diamagnetic with one unpaired electron.
40. Which of the following molecules has a bond order of 2.5 according to MOT?
a) O₂ b) NO c) CO d) O₂⁺
41. How many 𝜋 bonds are present in CO2?
A. One B. Two C. Three D. Four
42. What is the correct molecular electronic configuration for the molecular ion, B 2+?
A. 𝜎1s2𝜎*1s2𝜎2s2𝜎*2s2𝜎2p2 C. 𝜎1s2𝜎* 1s2𝜎2s2 𝜎*2s2𝜋2px11
𝐵. 𝜎1s2𝜎*1s2𝜎2s2𝜎*2s2𝜋2py2 D. 𝜎1s2𝜎*1s2𝜎2s2𝜎*2s2𝜋2px𝜋2py
43. Based on molecular orbital theory, the bond orders of H2, H2+ and H2- are____ respectively.
A, 1, 0 and 0 B. 1, ½, and 0 C. 1, 0, and ½ D. 1, ½, and 1/2
44. Which of the following hybrid orbitals is favoring the formation of trigonalbipyramidal?
A. Sp3d B. sp3 C. sp3d2 D. sp3d3
45. Which one of the following molecules/molecular ions is paramagnetic according to the
molecular orbital theory?
A. O22- B. O2 C. F2 D. O22+
46. What is the hybridization of phosphorus atom in PCl5
A. Sp3d B. sp3d2 C. sp3 D. sp2
47. Which molecule listed below has two sigma (𝜋) bonds?
A. N2 B. C2H4 C. N2F2 D. HCN
48. How many sigma and pi bonds are present in the following molecule ?
H3C- CH = CH-CH3

A. 8  bonds and 1  bond C. 8  bonds and 2  bond

B. 10  bonds and 2  bond D. 11  bonds and 1  bond
49. What hybridization change does the carbon atom undergo in the combustion of methane?
CH4(g) + 2O2 (g) → CO2(g) + 2H2O (g)
A. sp → sp 2 C. sp3 → sp
B. sp2 → sp3 D. sp2 → sp
50. What is the hybridization of sulfur atom in SF6?
A. Sp2 B. Sp3 C. sp3 d D. sp3d2
51. Formic acid , which is released by ants , has a molecular formula of HCOOH. What are the
possible hybridizations that exist in the molecule?
A. sp2 and sp3 B. sp and sp3 C. sp,sp2 and sp3 D. sp and sp2
52. What would happen to the O2 molecule upon ionization to O2 +
A. The bond length will increase and the bond energy will increase
B. The bond length will increase and the bond energy will decrease
C. The bond length will decrease and the bond energy will increase

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SJCS-Adama Summer Course Chemistry Module 5 2024

D. The bond length will decrease and the bond energy will decrease
53. How many atomic orbitals are required for an sp3 hybridization?
A. 2 B. 6 C.4 D. 8
54. A neutral molecule having the general formula AB, has two unshared pair of electrons on A .
What is the hybridization of A ?
A, sp B, sp2 C, sp3 D. sp3
55. Which of following contains an sp hybridized atom?
2

A, CH2Cl B. H2O C. N2 D. H2CCH2

56. The perchloric acid molecule contains
A. 8 lone pairs, no  bonds ,and 5 bonds B. 9 lone pairs ,2 bonds , and 5 bonds
C. 8 lone pairs , 3 bonds, and 5 bonds D. 2 lone pairs , 3 bonds , and 4 bonds
57. In the following equation, what type of hybridization change, if any, occurs at the Xe atom?
XeF2(s) + F2(g) XeF4(s)
A. Sp3d to sp3 B. sp2 to sp3 C. sp3d to sp3d2 D. sp3 to sp3d
58. Which of the following molecular orbital diagram is correct for the carbide ion (C 22-)?
A. σ1s2 σ*1s2σ2s2σ*2s2π2p4 C. σ1s2 σ*1s2σ2s2σ*2s2π2p4σ2p2π*2p4
B. σ1s2 σ*1s2σ2s2σ*2s2π2p4σ2p2π*2p2 D. σ1s2 σ*1s2σ2s2σ*2s2π2p4σ2p2
59. How many electrons are present in the σ2p molecular orbital of N2+?
A. 1 B. 4 C. 3 D. 2
60. What hybridization change, if any occurs at the underlined atom in the following reaction?
CO2 + H2O H2CO3
61. Sp to sp
2 3 B. sp to sp2 C. sp3 to sp3d D. No hybridization change