lone pair
H2O
2 bonding electrons
= 1 covalent bond
molecular formula Lewis structure
Once you have established the correct Lewis structure for a substance, you would be able to determine its geometry by applying the VSEPR (Valence Shell Electron Pair Repulsion) theory. The concept is based on the fact that electron pairs repel each other because they are all negatively charged. The geometry of the species would be based on how far apart electron pairs can move away from each other without breaking any bonds. For example, for water, there are four electron pairs on the oxygen atom (two pairs of bonding electrons and two lone pairs). The best spatial arrangement to keep the electron pairs apart would be in a tetrahedral geometry as shown below, with bond angles of 109.5.
In describing the molecule, however, we do not call it “tetrahedral” because electrons are very small and we consider only the arrangement of the atoms in our description. Students often confuse the two geometries: geometry of the electron pairs and the geometry of the molecule itself. By molecular geometry we are referring to the arrangement of the atoms only, although that geometry is indeed affected by the location of the lone pairs. For water, the electron pair geometry is tetrahedral and the molecular geometry is bent or angular.
To avoid the confusion over electron pair geometry versus molecular geometry it would be best to consider the number of electron groups around a central atom. A center atom is any atom that has two or more atoms bonded to it. Each atom is bonded to a center atom by one group of electrons (regardless of whether the bond is single, double, or triple). A lone pair or a single electron is also described as one group. For ethylene shown below, we would consider each carbon atom as having 3 electron groups around them (the double bond counting as one electron group).
S has 3 electron groups
Each C has
3 electron groups
ethylene
sulfur dioxide
For sulfur dioxide, the sulfur atom has 3 electron groups around it (the double bond counts as one group, the lone pair counts as another electron group, and the single bond counts as yet another).
Table 12.1 shows the relationship between the number of electron groups and molecular geometry.
Table 12.1: Relationship of the Number of Electron Groups to Molecular Geometry
|
# of
bonding
groups about central atom
|
# of non-bonding groups about central atom
|
Total # of electron groups about central atom
|
Sketch
|
Molecular Geometry
& approx. Bond Angle*
|
Example
(Lewis structures)
|
|
2
|
0
|
2
|
|
linear
bond angle = 180
|
H–CN:
|
|
3
|
0
|
3
|
|
trigonal planar
bond angle = 120
|
|
|
2
|
1
|
3
|
:
|
bent (or angular)
bond angle 120
|
|
|
4
|
0
|
4
|
..
|
tetrahedral
bond angle = 109.5
|
|
|
3
|
1
|
4
|
..
:
|
trigonal pyramidal
bond angle 109.5
|
|
|
2
|
2
|
4
|
|
bent or angular
bond angle 109.5
|
|
*A bond angle is the angle between two bonds.
1
2
1
H
O
H
..
..
O
H
H
..
..
O
H
H
..
..
O
S
O
..
:
..
..
..
:
O
S
O
..
:
..
..
..
:
C
C
H
H
H
H
C
C
H
H
H
H
O
C
O
O
:
:
:
:
..
..
..
..
_
2
O
N
O
:
:
..
..
..
_
..
H
C
H
H
H
H
N
H
H
..
H
O
H
..
..
H
O
H
..
..