Molecular Geometry

Molecular Geometry is the three-dimensional arrangement of atom in a molecule. Molecules have specific geometric
arrangement that may affect the property of the molecules into some extent. Similarities of the properties of molecules
may also be attributed to this phenomenon. That is why it is necessary that we know how to predict the geometry of
each individual molecules. We will use the valence shell electron pair repulsion (VSEPR) theory as model to predict the
geometry of a given molecule.

VSEPR theory accounts for the geometric arrangements of electron pair around a central atom in terms of electrostatic
repulsion between electron pairs.

1. Electron pairs should be occupying regions far for one anther so that repulsion may be avoided
H
I
H-C-H is correct rather than H- C – H notice the crowding effect and possible repulsion
I H H that may occur in the electron pairs of the C-H
bonds
H

2. Double bonds and triple bonds can be treated as single bonds. However, multiple bonds are more dense and
occupy more space

CO2 may be written as O=C- O, it can be treated as O-C- O

3. If molecules has two resonance structure they we can apply the VSEPR model to any of them

O=C-O has a has resonance structure O-C= O so any one may be used and may be expressed as

C-O-O following #2

4. With molecules which has bonding pairs or lone pairs, the molecules experiences 3 types of repulsive forces,
a. Lone pair vs lone pair b. Lone pair vs.bonding pair c. bonding pair vs bonding pair
Order of the repulsive force a>b>c

Steps in identifying the geometry of molecules. Lets take the BeCl2 as example

1. Write the Lewis dot structure

:

: :
:

:Cl:Be:Cl: or it may be written as :Cl –Be –Cl :

:

:
:

2. Determine the central atom , and how many bonding pair/s

central atom
:

:Cl-Be-Cl:
:

Bonding pairs; there are 2 bonding pairs

Notice that the bonding pairs of this molecules repel each other causing them to be opposite with each other
forming a 1800 or straight line.
1800
Be Cl
Cl – Be – Cl Cl

3. In VSEPR model we assign letters designating the parts of molecules as formula:

A= central atom
B= bonding pairs
U or E = lone pair or unshared electrons
Using this representation, the molecules of BeCl2 may be represented using the VSEPR formula AB2, this means
that the central atom has two bonding pair.

There are different models that may represent different molecules. The table below shows the different models
with their corresponding molecular geometry.

Formula Molecular geometry Example

AB2 Linear BeCl2

AB3 Trigonal planar BF3

AB4 Tetrahedral CH4

AB5 Trigonal bipyramidal PCl5

AB6 Octahedral SF6

4. For molecules with lone pairs, let us use SO2 as example

: :
:
: :

O=S=O notice that there seem to be overcrowding in the upper region of the molecules
due to the lone pairs of sulphur and oxygen as well as the O-S bonds.

due to this overcrowding, the lone pair of sulphur may repel the bonding electrons of O-S bonds
thereby forming a different orientation the will lessen overcrowding. Thus,
lone pair central atom
:

S
S
O O

Bonding electrons O O
which can be treated
as single bonds ; as 2 bonding pairs thus,
SO2 is AB2U which means the central atom has 2 bonding pairs with one lone
pair. You may observe that the geometric shape formed is bent.
 For molecules with lone pairs the table below may be useful to describe the formula as well as the molecular
geometry of the molecule.

Formula Molecular geometry Example

AB2U Bent SO2

AB3U Trigonal pyramidal NH3

AB2U2 bent H2O

AB4U Seesaw SF4

AB3U2 T- shaped ClF3

AB2U3 Linear I3-

AB5U Square pyramidal BrF3

AB4U2 Square Planar XeF4

Note that in reality it is very hard to accurately predict the molecular geometry of the an atom whose central atom has
several lone pairs.

Try this!

Predict the molecular geometries of the following:

1. CHCl3 2. ZnCl2 3. N2O 4. SnCl5 5. H3O+