MOLECULAR

GEOMETRY
 MOLECULAR GEOMETRY
What is molecular geometry?
Why do we need to know about the
geometry of molecules?

 Molecular geometry pertains to

the three-dimensional
arrangement of atoms in a
molecule.
 Geometry affects the physical
and chemical properties of
molecules and their reactivity
towards other molecules.
 MOLECULAR
GEOMETRY
How can we know the geometry of a molecule?
 Molecular geometry can be determined by experiment
such as x-ray diffraction.
 However, the geometry of simple molecules can be
predicted even without experimentation. While the
results of the prediction is only qualitative and not as
accurate as experiment, they still help in explaining the
properties of chemical substances.
 VSEPR Theory

Valence Shell Electron Pair Repulsion theory

VSEPR is a simple, yet powerful technique to

predict the molecular geometry (or shapes) of
molecules.

e- pairs (bonding or nonbonding) repel each

other. Thus, they attempt to get as far apart from
each other as possible to maximize separation
VSEPR theory
The key ideas are:

• 1. Electron pairs stay as far

apart from each other as
possible to minimize
repulsions.
• 2. Molecular shape is
determined by the number of
bond pairs and lone pairs
around the central atom.
VSEPR theory
The key ideas are:
3. Treat multiple bonds as if they
were single bonds (in making the
prediction).
4. Lone pairs occupy more volume
than bond pairs. Lone pair-lone
pair repulsions are greater than
lone pair-bond pair repulsions
which in turn are greater than bond
pair-bond pair repulsions.
Common Orientations Of Electrons Pairs (Bond
Pairs And Lone Pairs) That Minimize
Repulsions?
 MOLECULAR GEOMETRY OF SAMPLE
MOLECULES

• Letter A refers to the central atom

and X refers to another atom Another atom bonded to A

bonded to it.
• If there are lone pairs attached to AX2E2
the central atom, this is indicated
by the letter E. central atom Lone pair e-
• Hence, AX2E2 means that A has
two atoms of X bonded to it and
A also has two lone pairs of
electrons.
 EXAMPLE- VSEPR

1. Predict the molecular geometry of the

molecule BeCl2. This is of the type AX2.

a. The first thing to do before we can predict

the molecular geometry is to draw the
Lewis structure of the molecule.
EXAMPLE -VSEPR
b. How many bond pairs surround the central atom
of
Be? - Two bond pairs surround Be.

c. How will two electron pairs orient themselves

such that they will be as far apart from one another
as possible?
- Remember VSEPR Theory says they repel one
another.
- To minimize repulsion, the two electron pairs
will be arranged in a linear arrangement as
 EXAMPLE -VSEPR
d. What is the molecular geometry?
The molecular geometry is
determined by the
arrangement of the nuclei of the
atoms in the molecule.
• The molecular geometry of BeCl2
is linear.
e. What is the Cl-Be-Cl bond angle?
- It will be 180o.
 EXAMPLE -VSEPR
2. Predict the molecular geometry of CO2.
This is also of the type AX2 but with double
bonds.
a. In determining molecular geometry, always start
with the Lewis structure.
b. How many electron pairs are around the central
atom of carbon?
- We have indicated earlier that in applying the VSEPR
theory, we will treat multiple bonds to be like single
bonds.
- Therefore, there will be two pairs around carbon.

c. What will be the orientation of the electron pairs:

Answer: Linear
d. What will be the molecular geometry of CO2?
Answer: Linear
e. What will be the O – C – O bond angle?
Answer: 180o
 EXAMPLE -VSEPR

3. Predict the molecular geometry

of the molecule BCl3. This is of the
type AX3.
a. Again, the first step is to get the
Lewis structure.
b. How many bond pairs surround
the central atom of boron?
Three bond pairs surround B.
 EXAMPLE -VSEPR
Predict the molecular geometry of the
molecule BCl3. This is of the type AX3.

c. How will three electron pairs orient

themselves such that they will be as far
apart from one another as possible?

-To minimize repulsion, the two

electron pairs will be arranged in a
trigonal planar arrangement as shown
above.
d. What is the molecular geometry?
-The molecular geometry of BCl3

is trigonal planar.
-This is a flat molecule as shown
in the figure on the right.

e. What is the Cl – B – Cl bond

angle?
-The bond angle is 120o.
 EXAMPLE -VSEPR

4. Predict the molecular geometry

of the molecule methane, CH4.
This is of the type AX4.
a. Draw the Lewis structure of
methane.

b. Methane has four bonding pairs

of electrons around C.
c. The four bonding pairs will
arrange themselves to be as far
apart from one another as possible.

- This is achieved through a

tetrahedral arrangement where
the four H atoms are at the
corners of a tetrahedron.
d. The molecular geometry is –
- tetrahedral

e. The H-C-H bond angle is

109.5o
 EXAMPLE -VSEPR
5. Predict the molecular geometry of
ozone, O3.
This molecule is of the type AX2E.
a. Lewis structure

b. For predicting geometry, we may

use only one of the resonance
structures.
c. Number of electron pairs around
central oxygen atom (treat multiple
bonds as single )
-three electron pairs
c. Orientation of three electron
pairs: trigonal planar
d. Molecular geometry: bent

-We only use the positions of the

nuclei of the atoms. We are
unable to “see” the lone pair.
Therefore, the molecular
geometry is bent.
The lone pair occupies more
volume and pushes the bond pair
closer. Therefore, the bond
angle is slightly less than 120o.
 EXAMPLE -VSEPR
6. Predict the geometry and bond
angles in ammonia, NH3. This

molecule is of the type AX3E.

a. Draw the Lewis structure.

b. NH3 has three bond pairs and
one lone pair around nitrogen.
c. The electron pairs are arranged in a
d. Since the lone pair is not considered, the molecular
geometry is pyramid.
e. Again, since the lone pair occupies more volume, it
will push the bond pair in and the resulting
- H-N-H bond angle is slightly less than 109.5 0
-
Experimental results show it is 107o.
 EXAMPLE -VSEPR
Predict the molecular geometry of
water, H2O. This is of the type
AX2E2.
a. Draw the Lewis structure of
water.
b. There are four electron pairs
around the central atom: two
bond pairs and two lone pairs.
c. The electron pairs are
tetrahedrally oriented.
d. The molecular geometry is
bent.
 Because there are two lone pairs
occupying more volume and pushing in
the bond pairs, the H-O-H bond angle
is less than 1200.
 Experiment shows this to be 104.5o.
 This is smaller than the bond angle in
NH3.
 Remember that lone pair-lone pair
repulsions > lone pair-bond pair
repulsions > bond pair-bond pair
repulsions.
 EXAMPLE -VSEPR
8. Predict the molecular geometry of
PF5. This is of the type AX5.
a. Draw the Lewis structure of PF5.
b. There are five electron pairs
around phosphorus.
c. The orientation of the five electron
pairs is trigonal bipyramidal.
d. The molecular geometry is trigonal
bipyramidal.
e. The bond angle is 900 and 1200
 EXAMPLE -VSEPR
Predict the molecular geometry of SF6. This is of the
type AX6.
a. Draw the Lewis structure of SF6.
b. There are six electron pairs around S.
c. The electrons pairs are oriented in an octahedral
manner.
d. The molecular geometry is octahedral.
e. The bond angles are 90o and 180o.
Exercises
1. Using the VSEPR theory, give the electron pair orientation
and predict the geometry of the
following:
a. CH3I d. NF3
b. SiH4 e. SCN– (C is the middle atom)
c. H2S

2. Give the bond angles for the molecules given in #1.

3. The molecule, acetone, has the following Lewis structure.

a. What is the geometry of the first carbon?
b. What are the bond angles around the first carbon?
c. What is the geometry of the middle carbon?
d. What are the bond angles around the middle carbon?
 Answer

1. CH3I–tetrahedral, 109. 50

2. SiH4 – Tetrahydal,
109.50

3. H2S- bent shape, 92.1

4. NF3 – trigonal, 101.9 0C

5. SCN – linear – 1800