VSEPR Theory

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VSEPR Theory

Valence Shell Electron Pair Repulsion


Lewis dot formula can only show the electronic
arrangement of atoms in a molecule but it can not predict
the shape of molecule
VSEPR Theory

• This theory was proposed by Sedgwick and Powell in


1940 initially and developed by Gillespie.

• Predicts the molecular shape of a covalently bonded


molecule and ions.
Postulates-
1. The shape of the covalent molecule or ion is determined
by total number of electron pairs( bond pairs and lone
pairs) present in the valence shell of central atom in the
molecule. Electron pairs around the central atom arrange
themselves as far apart from each other so as to get the
minimum electrostatic repulsion. Hence determines the
shape of molecules
2. If central atom in a molecule is surrounded by only by
bond pair electrons, the molecule will have regular
geometry and shape
Examples
• 2 atoms attached to center atom
• 0 unshared pairs (lone pairs)

• Bond angle = 180o

• Type: AX2
• Ex. : CO2 BeF2, BeCl2
Trigonal Planar

• 3 atoms attached to center atom


• 0 lone pairs

• Bond angle = 120o

• Type: AX3
• Ex. : BF3
Tetrahedral

• 4 atoms attached to center atom


• 0 lone pairs

• Bond angle = 109.5o

• Type: AX4
• Ex. : CH4
CCl4
Trigonal Bipyramidal

• 5 atoms attached to center atom


• 0 lone pairs

• Bond angle =
– equatorial -> 120o
– axial -> 90o

• Type: AX5
• Ex. : PF5
Octahedral
Octahedral
3. If central atom has lone pairs ,along with bond pairs the
ideal shape is distorted to give different bond angle than
expected .
This is because a lone pair (lp) occupies more space around
the central atom than the bond pair (bp) since lp pair is
attracted by one nucleus and bp is shared between the two
nuclei .
Because lone pairs of electrons are spread out more broadly
than bond pairs, repulsions are greatest between two lone
pairs, intermediate between a lone pair and a bond pair, and
weakest between two bonding pairs of electrons
i.e
lp-lp > lp-bp > bp-bp
These are for molecules
with both paired and
unshared (lone) pairs of
electrons around the central
atom.
Water(H2O)

(2 l.p. and 2 b.p. )

Geometry – Distorted Tetrahedral


Shape - Angular or V shaped

109.5° to 104.5°
Water
In H2O the central atom oxygen has four electron pair ( two lone
pairs and two and bond pairs ) , expected shape and geometry is
tetrahedral pairs .Since there are two lone pairs of electrons
around central atom the actual geometry is distorted tetrahedral
and give bent or angular shape. Since the lone pairs exerts
greater repulsion than bond pairs , the bond angle is less than
regular tetrahedral angle i.e. 109. 5°. Actual bond angle is found
to be 104. 5°.
Bent

• 2 atoms attached to center atom


• 2 lone pairs

• Bond angle = 104.5o

• Type: AX2E2
• Ex. : H2O
Ammonia (NH3)

(1l.p. and 3b.p.)

Geometry – Distorted Tetrahedral


Shape - Pyramidal

109.5 ° to 107.5°
Ammonia (NH3)
In NH3 the central atom i.e. nitrogen contains four electron
pairs but only three of them are bonded pairs. Since one of the
electron pair is lone pair , the molecule will have distorted
tetrahedral geometry. Since lone pair exerted greater repulsion
than bonded pair, the bond angle is less than expected in
regular tetrahedral bond angle( i.e.109.5°). Actual bond angle is
found to be 107.5°)
Trigonal Pyramidal

• 3 atoms attached to center atom


• 1 lone pair

• Bond angle = 107.5o

• Type: AX3E
• Ex. : NH3
SF4

Geometry – Distorted trigonal bipyramidal


Shape - seesaw or distorted octahedron
XeF4

Geometry – Distorted Octahedral


Shape – square planar

-
EP Shape or shape shape shape Shape
Geometry 1lp 2 lp 3 lp 4lp
0 lp
4. Electronegativity of atoms also affects the bond angle of
the molecule in the iso-structural molecule ( molecules
having same number of bonded and lone pairs around
the central atom.
b. As the electronegativity (EN) of the atoms bonded to the
central atom increases , the bond pairs of electrons are
pulled towards themselves by electronegative atoms due to
which repulsion between bond pairs decreases . As a
result, bond angle decreases.

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