Chapter 11.

Theories of Covalent Bonding

Introduction: Orbital and bonding theories

- Valence Bond (VB) theory - Molecular Orbital (MO) theory All scientific models have limitations because they are simplifications of reality. Each theory has a number of advantages and use for different purposes. Example: Magnetism property of O2 and N2 molecule

11.1. Valence bond theory 11.1.1. Principle In case of H2 molecule

Principles of VB theory A covalent bond is formed when orbitals of two

atoms overlap. Example: - H2: bond s - s

The overlap region is occupied by two electrons.

Opposing spins of the electron pair. Maximum overlap of bonding orbitals. - HF: bond s - p

- F2: bond p - p

11.1.2. Some types of bonds - Bond : overlap region follow line between 2 nuclear atoms. (bond s-s; bond s-p; bond p-p)

- Bond : overlap region follow line perpendicular to line between 2 nuclear atoms ( bond p-p; bond p-d; bond d-d).

C2H2
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HCHO Stable order: >

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11.1.3. Hybridization a. Problem: Normal overlap of orbitals cannot describe all bonding in the molecules. Example: BeCl2
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Cl: 1s2 2s2 2p6 3s2 3p5 1s2 2s2 1s2 2s1 2p1 Be (s, p) Cl p
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Be: Stable state Activated state

If normal overlap:

Cl p

1 bonding s-p and 1 bonding p-p

In fact, bonds in the BeCl2 molecule are the same. Reason ??? Solution: Hybridization - Linus Pauling

b. Hybridization - Definition: Hybridization is the combination of different orbitals to new orbitals which have similar shape and energy.

Initiation

Mix

Hybridization
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- Characteristics: + The number of hybrid orbitals is equal with the number of initial orbitals. + Hybrid orbitals belong one central atom of one molecule or ion.

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c. sp hybridization: one orbital s and one orbital p. Example BeCl2 - mix energy in the orbitals of Be
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Be: Stable state

1s2 2s2

Activated state 1s2 2s1 2p1

E

2p 2s 2s

2p

sp1

Stable state

Activated state

Hybrid state
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- mix shape in the orbitals of Be

BeCl2

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d. sp2 hybridization: one orbital s and two orbital p Example BCl3 - mix energy in the orbitals of B
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B:

Stable state Activated state

1s2 2s2 2p1 1s2 2s1 2p2

E
2p 2s 2s 2p sp2

Stable state

Activated state

Hybrid state
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- mix shape in the orbitals of B

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BF3

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e. sp3 hybridization: one orbital s and three orbital p Example CH4 - mix energy in the orbitals of C
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C:

Stable state

1s2 2s2 2p2

Activated state 1s2 2s1 2p3

E 2p 2s 2s 2p sp3

Stable state

Activated state

Hybrid state
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- mix shape in the orbitals of C

CH4

Stable order: sp3 > sp2 > sp1 Review

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Exercises 1. In the below molecules, which of the following molecules have sp hybridization in the underline atom ? a. BF3 b. H2O c. BeH2 d. NH3 2. Give examples about sp3 and sp2 hybridization of carbon isomorphs in nature ?
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1. Results: H2O and NH3 2. sp3 and sp2 hybridization: diamond and graphite
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References: sp3d hybridization in PCl5

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sp3d2 hybridization in SF6

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Chapter 11 part 1 Review

1. Understand the differences between valence bond theory and the other theory (ionic bonding model and covalent bonding model)

2. Understand the orbital hybridization in the central atom of one molecule or ion Next part: Molecular Orbital theory and electron delocalization
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