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Shell Planar
triangular
Electron Tetrahedral
Pair
Repulsion Trigonal
pyramidal
Theory Bent
Molecular Shape
VSEPR theory assumes that the shape of a
molecule is determined by the repulsion of
electron pairs.
VSEPR Theory
• Based on Electron Dot (Lewis structures)
• trigonal pyramidal
• Bent
• Linear
• trigonal planar
Models
Linear
Trigonal pyramidal
Underlying principle
(see Shriver & Atkins)
• In the VSEPR model, electron
regions
of enhanced
pairs take up electron
positionsdensity
as far
take up
apart aspositions
possible.as far apart as
possible.
• EPs can be bonding pairs
(BPs) or lone pairs (LPs).
How confident do you feel about
using VSEPR to determine shapes?
58%
1. It’s a doddle!
It’s a doddle!
I don’t remember
much.
at all!
Step-by-step
1. Write a Lewis dot structure for the molecule.
* A Lewis dot structure is like a dot-and-cross
* diagram that only uses dots.
e.g. methane
C – 4 valence electrons
4 regions of electron
density to distribute.
Step-by-step
3. Work out how the regions of high electron
density will be arranged around the central
atom:
2 Regions – Linear
3 Regions – Trigonal planar
4 Regions – Tetrahedral
5 Regions – Trigonal bipyramidal
6 Regions – Octahedral
Step-by-step
4. Draw the structure and label bond angles.
109.5º
Tetrahedral
Step-by-step
4. Draw the structure and label bond angles.
109.5º
Tetrahedral
Beryllium hydride
• Be – 2 valence electrons
• Linear molecule
180º
What is the shape of BF3 ?
1. Tetrahedral
2. Trigonal planar 0%6%
3. Linear
94%
4. V-shaped
5. Octahedral Tetrahedral Trigonal planar Linear
V-shaped Octahedral
Boron trifluoride
• B – 3 valence electrons
120º
What is the shape of SF6 ?
1. Tetrahedral
2. Trigonal pyramidal 0%
3%
0%
3. Linear
97%
4. V-shaped
5. Octahedral Tetrahedral
Linear
Trigonal pyramidal
V-shaped
Octahedral
Sulphur hexafluoride
• S – 6 valence electrons
• Octahedral molecule
90º
What about lone pairs?
Which statement is correct?
1. Repulsion due to bonding
pairs is greater than
repulsion due to lone pairs. 14%
5%
2. Repulsion due to bonding
pairs is the same as
81%
repulsion due to lone pairs.
3. Repulsion due to lone pairs
A B C
is greater than repulsion
due to bonding pairs.
Step-by-step
1. Write a Lewis structure for the molecule.
e.g. water
O – 6 valence electrons
4 regions of
electron density
to distribute
Step-by-step
3. Work out how the electron regions will be
arranged around the central atom:
2 Regions – Linear
3 Regions – Trigonal planar
4 Regions – Tetrahedral
5 Regions – Trigonal bipyramidal
6 Regions – Octahedral
Step-by-step
4. Deduce the shape of the molecule based on
the arrangement of atoms (not including LPs)
Step-by-step
5. Draw the structure.
A. 109.5º
B. 108º 7% 7%
C. 104.5º
86%
88%
• 6 regions octahedral
• 6 regions octahedral
Tetrahedral
109.5°
..
..
..
NH3
Trigonal
Pyramidal
water, H2O
CH4 4
Tetrahedral
Trigonal
NH3 4 Pyramidal
(3 shared
1 lone pair)
Molecule Lewis Structure Number of
electron pairs SHAPE
Bent or V
H 2O 4
(2 shared
2 lone pairs)
Linear
CO2 2
Molecule Lewis Structure Number of SHAPE
electron pairs
Linear
BeCl2 2
Trigonal
BF3 Planar
3
question: predict the shape of CO2 HCN CH4, NH3 SO2 PCl5,
SF6 and H2O by using VSEPR theory.
question: predict the shape of CO2 HCN CH4, NH3 SO2 PCl5,
SF6 and H2O by using VSEPR theory.
The nonbonding electron pairs are as important as bonding electron pairs in
determining the structure.
Nonbonding electrons take up more space in the valence shell than the bonding
electrons.
If one or more of the electron pairs are lone pairs, the distribution of electron
pair and the geometrical shape of the molecule must be different.
Repulsion strengths
lone pair -lone pair lone pair e-bond pair bond pair-bond pair
Hybridization
• Look at the orbital
notation for the carbon
atom on the right.
• There appear to be only 2s 2p
two electrons available
for bonding with other
atoms. X
X
• However, one carbon X C X
will bond equally with
four hydrogens as in
methane, CH4.
Hybridization of the carbon
atom
• The orbitals combine
an s orbital and three p
orbitals to form four
equal sp3 hybrid
orbitals. sp3 hybrid orbitals
H
Most molecular bonding
involves hybrid orbitals.
• Two equal bonds are • Five equal bonds are
formed by a s and a p formed by a s, 3p and a
orbital-2 sp hybrids d orbital-5 sp3d hybrids
• Three equal bonds are • Six equal bonds are
formed by a s and 2 p formed by a s, 3p and 2
orbitals-3 sp2 hybrids d orbitals-6 sp3d2
• Four equal bonds are hybrids
formed by a s and 3 p
orbitals-4 sp3 hybrids
Without VSEPR you want to
draw Methane, CH4 like this.
H
e- e-
e- e-
H e- C e-
H
e- e-
H
However, this isn’t VSEPR.
• This looks good in 2
dimensions, all angles
are 90° but the H
molecule is 3D. e- e-
e- e-
H e- O e- H
e- e-
Due to the unequal repulsion of
the electrons the shape looks
more like this. Why?
H H
e- e-
e- e-
e- O e-
e- e-
The angles aren’t all 109.5°, the
angle between the unshared pairs is
more than 109.5° and between the
shared pairs is only 104.5°.
Shared pairs push apart the least.
H H
e- e-
e- e-
e-
O e-
e- e-
C
H
δ+ H H δ+
Molecular Orbitals
• When two atomic orbitals from different atoms
interact, two new molecular orbitals are
formed.
– Bonding molecular orbital- additive orbital, high
electron density between nuclei
– Antibonding molecular orbital- subtractive
orbital, low electron density between nuclei
(indicated by an *)
• Antibonding orbitals are higher energy than
bonding orbitals and therefore less stable.
• Bond order = ½ (e-bonding-e-antibonding)
Orbital Energy-Level Diagram
for the HF Molecule
The Electron Probability Distribution
in the Bonding Molecular Orbital of
the HF Molecule
The Sigma System for
Benzene
The Pi System for Benzene
Valence bond theory
The covalent bonds are formed by overlap of atomic orbitals each of which
contains one electron of opposite spin.
The valence bond method predicts molecule
shapes from the shapes and orientation of the
atomic orbitals and their overlap regions when
two atoms approach.
• Electron sea
model
Bonding in Metals
Band theory.
Band Theory
Semiconductors
Photovoltaic Cells