CHEM 4A: Lab 9

Valence Shell Electron Pair Repulsion Theory (VSEPR) – Molecular Geometry

Valence shell electron pair repulsion (VSEPR) theory is a model used, in chemistry, to predict
the geometry of individual molecules from the number of electron pairs surrounding their central
atoms. It is also named Gillespie–Nyholm theory after its two main developers.
The premise of VSEPR is that the valence electron pairs surrounding an atom tend to repel each
other, and will therefore adopt an arrangement that minimizes this repulsion, thus determining
the molecule's geometry. The sum of the number of atoms bonded to a central atom and the
number of lone pairs formed by its nonbonding valence electrons is known as the central atom's
steric number. The steric number determines a molecule’s electronic geometry; whereas, the
molecular geometry is determined by viewing the 3-D arrangement of only the bonded atoms.
The steric number and the number of nonbonding electrons present can be determined after
constructing the best Lewis structure for a molecule. VSEPR theory then makes the geometry
predictions in the table provided on page 8.

Valence Bond Theory (VBT) – Hybridization

Valence bond theory is a basic theory that was developed to use the methods of quantum
mechanics to explain chemical bonding. It focuses on how the atomic orbitals of the
dissociated atoms combine to give hybrid orbitals when a molecule is formed. The shape and
orientation of the hybrid orbitals goes hand-in-hand with predicted geometries using VSEPR.
For example, a molecule with a steric number of 4 requires 4 atomic orbitals to make 4 hybrid
orbitals. In this example, each hybrid is a blend of an s atomic orbital and all 3 p atomic orbitals.
The resulting hybrids are referred to as “sp3” orbitals. These 4-sp3 hybrid orbitals point to the
vertices of a tetrahedron. The number of atomic orbitals combined determines the number of
hybrid orbitals formed and the geometry around the atom as illustrated in the table on page 9.
Often, a hybridization energy diagram is used to illustrate the formation of hybrid orbitals.
Consider the methane molecule, CH4. The Lewis structure predicts a steric number of 4.
Therefore, 4 atomic orbitals are required to form the 4 hybrid orbitals. However, the 4 bonds
require 4 unpaired electrons. So, an excited state electron configuration occurs first – a step
known as “promotion”.

4 bonds requires SN = 4 requires

4 unpaired electrons 4 atomic orbitals to form
3
4 sp hybrid orbitals

Merced College Chemistry Page 1

Hybrid orbital overlap between atoms creates sigma () bonds. Multiple covalent bonds (double
and triple) form when more than one orbital from each atom overlap. This additional overlap occurs
using unhybridized atomic orbitals, not hybrid orbitals. This overlap is called a pi (π) bond
formation.

Sigma bond (σ): the first bond formed between two atoms. All single bonds are sigma bonds.
Results from the end-to-end overlap of hybrid orbitals.* Electron density
is located along the internuclear axis (between the bonded atoms).

*Note: H and the halogens do not hybridize when overlapping with another
atom’s hybrid orbital to form a sigma bond. H uses its s atomic orbital and
halogens use their p atomic orbital.

Pi (π) bond: the second or third bond formed between two atoms. Results from the
side-to-side overlap of atomic orbitals, usually unhybridized p or d
atomic orbitals. Electron density is located above and below the
internuclear axis.

Single bond = sigma bond (σ)

Double bond = sigma + pi (σ + π)
Triple bond = sigma + pi + pi (σ + π + π)

Based on the above description of bonds, we would then describe each C-H bond in the methane
molecule by type of bond as well as designating the orbitals that overlap:

 (Csp3/Hs)

Laboratory Exercise

Part A – Provide a 3-dimensional sketch that clearly indicates the molecular geometry for each of the
provided formulas. Begin with the best Lewis structure that you determined in your previous
laboratory session. Also, fill-in the blanks with the missing information.

Part B –Draw a VBT diagram illustrating the hybridization that Xenon undergoes in XeF4. Be sure
to show promotion and hybridization steps.

Part C – Using VBT, indicate the type of bond (, , etc.) and the orbitals used to form each bond
of the given “monster molecule”.

Merced College Chemistry Page 2

Part A – Provide a 3-dimensional sketch that clearly indicates the molecular geometry for each
formula below. Also fill-in the blanks with the missing information.

CHCl3
e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________
GaBr3
e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

NH2Cl
e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________
CS2
e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

O3
e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

NAME ______________________________________________________ 3
HNO3 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

I3 – e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

CH3CN e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

NO2 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

H2SO4 e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

NAME ______________________________________________________ 4
SO3–2 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

PBr4–3 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

SCl5+ e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

TeCl4 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

C2Br2 e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

NAME ______________________________________________________ 5
KrOF2 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

IBr4Cl2+ e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

XeOF4 e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

SeO2 e- geom: __________________________

molec geom: _______________________

P or NP: _______

central atom hybridization: __________

C2H2F2 e- geom: __________________________

molec geom: _______________________

P or NP: _______
central atom hybridization: __________

NAME ______________________________________________________ 6
 Part B – Valence Bond Theory: hybridization of atomic orbitals
Complete the VBT diagram for the indicated atom: Xenon in XeF4

Xenon atom

Part C – Valence Bond Theory: description of bonding in a molecule

Using VBT, indicate the type of bond (, , etc.) and the orbitals used to form the
bond. Example: :O=O: , Osp2/Osp2 and , Opz/Opz
 

9, 10
1

8
2 7
1.
3 4, 5, 6
.
1. 6.

2. 7.

3. 8.

4. 9.

5. 10.

NAME ______________________________________________________ 7
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