Molecular Geometry

Molecular geometry relates to the three-dimensional arrangement of atoms in a molecule. The size and
shape of a molecule of a substance, together with the strength and polarity of its bonds, affect the physical
and chemical properties of molecules and play an important role in their interactions especially in the life
sustaining processes in cells. The angles and distances between each atom, bonding pair, and lone pair of
electrons are determined by the attractive and repulsive forces governing all matter.

Stepwise Guide in Predicting the Shape of the Molecule

1. Write or draw the Lewis Dot Structure of the molecule.
2. Count the number of atoms bonded to the central atom, and count unshared electron Pair on
the central atom.
3. Add the number of atoms and the number of unshared electron pairs around the central atom.
The total indicates the number of electron domains thus the parent structure.
4. The molecular shape is derived from the parent structure by considering only the positions in
the structure occupied by bonded atoms.
5. Refer to table of Geometrical Shapes based on location of member atoms in the central atom on
the table below.

Table 3.1: Number of electron pairs in the valence shell of the central atom; and shape of molecule or ion

Number of Electron Pairs Shape of molecule or ion

Total Bonding
2 2
3 3
3 2
4 4
4 3
4 2
5 5
5 4
5 3
5 2
6 6
6 5
6 4
Nonbonding
0 Linear
0 Triangular planar
1 Angular
0 Tetrahedral
1 Trigonal pyramidal
2 Angular
0 Trigonal bipyramidal
1 Irregular tetrahedral
2 T-shaped
3 Linear
0 Octahedral
1 Square pyramidal
2 Square

The VSEPR principles:

Valence electron pairs of the central atom repel each other and thereby determine the shape of the
molecule. Lone Pairs repel more than the bonding pairs.

Example 1. Use VSEPR theory to predict the shapes of the following ions. All the bonds in these structures
are single bonds. Assume that each halogen atom contributes one electron to the valence shell of the
central atom for bond formation:
+¿¿ +¿ ¿ −¿ ¿
a. TlCl 2 b. AsF2 c. ClF 3 d. SnCl3 e. XeF 4

Solution:
The number of valence electrons of the central atom (A), plus one electron for each substituent halogen
atom (X), and an adjustment for the charge of the ion (chg), give the total number of electrons in the
valence shell of the central atom.

One-half of this number is the total number of electron pairs. Since each halogen atom is bonded by a
single bond pair, the number of halogen atoms is also the number of bonding electron pairs. The number
of nonbonding electron pairs is obtained by subtraction