Hybridisation

Chemical Bonding II:
Molecular Geometry and

Hybridization of Atomic Orbitals
Chapter 10
Copyright The McGraw-Hill Companies, Inc. Permission required for reproduction or display.
10.1
Valence shell electron pair repulsion (VSEPR) model:
Predict the geometry of the molecule from the electrostatic

repulsions between the electron (bonding and nonbonding) pairs.
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry
AB2 2 0 linear linear
B B
10.1
0 lone pairs on central atom
Cl Be Cl
2 atoms bonded to central atom 10.1

VSEPR
# of atoms # lone

trigonal trigonal
AB3 3 0
planar planar
10.1
10.1
VSEPR
# of atoms # lone

trigonal trigonal
AB3 3 0
planar planar
AB4 4 0 tetrahedral tetrahedral
10.1
10.1
VSEPR
# of atoms # lone

trigonal trigonal
AB3 3 0
planar planar
trigonal trigonal
AB5 5 0
bipyramidal bipyramidal
10.1
10.1
VSEPR
# of atoms # lone

trigonal trigonal
AB3 3 0
planar planar
trigonal trigonal
AB5 5 0
AB6 6 0 octahedral octahedral
10.1
10.1
10.1
lone-pair vs. lone pair lone-pair vs. bonding bonding-pair vs. bonding
repulsion
> pair repulsion
> pair repulsion
VSEPR
# of atoms # lone
trigonal trigonal
AB3 3 0
planar planar
trigonal
AB2E 2 1 bent
planar
10.1
VSEPR
# of atoms # lone

trigonal
AB3E 3 1 tetrahedral
pyramidal
10.1
VSEPR
# of atoms # lone

trigonal
AB3E 3 1 tetrahedral
pyramidal
AB2E2 2 2 tetrahedral bent

O
H H
10.1
VSEPR
# of atoms # lone
trigonal trigonal
AB5 5 0
trigonal distorted
AB4E 4 1
bipyramidal tetrahedron
10.1
VSEPR
# of atoms # lone
trigonal trigonal
AB5 5 0
trigonal distorted
AB4E 4 1
trigonal
AB3E2 3 2 T-shaped
bipyramidal
F
F Cl
10.1
VSEPR
# of atoms # lone
trigonal trigonal
AB5 5 0
trigonal distorted
AB4E 4 1
trigonal
AB3E2 3 2 T-shaped
bipyramidal
trigonal
AB2E3 2 3 linear
bipyramidal
I
I 10.1
VSEPR
# of atoms # lone

square
AB5E 5 1 octahedral
pyramidal
F
F F
Br
F F
10.1
VSEPR
# of atoms # lone

square
AB5E 5 1 octahedral
pyramidal
square
AB4E2 4 2 octahedral
planar
F F
Xe
F F
10.1
10.1
Predicting Molecular Geometry
1. Draw Lewis structure for molecule.
2. Count number of lone pairs on the central atom and
number of atoms bonded to the central atom.
3. Use VSEPR to predict the geometry of the molecule.
What are the molecular geometries of SO2 and SF4?
O S O F
AB4E
AB2E F S F
distorted
bent tetrahedron
F
10.1
Dipole Moments and Polar Molecules
electron rich
electron poor
region
region
H F
=Qxr
Q is the charge
r is the distance between charges
1 D = 3.36 x 10-30 C m 10.2
10.2
10.2
Which of the following molecules have a dipole moment?
H2O, CO2, SO2, and CH4
O S
H O
H O
dipole moment dipole moment
polar molecule polar molecule
H C H
O C O
no dipole moment H
nonpolar molecule no dipole moment
nonpolar molecule
10.2
Does BF3 have a
dipole moment?
10.2
Does CH2Cl2 have
a dipole moment?
10.2
10.2
Chemistry In Action: Microwave Ovens
How does Lewis theory explain the bonds in H2 and F2?
Sharing of two electrons between the two atoms.
Bond Dissociation Energy Bond Length Overlap Of
H2 436.4 kJ/mole 74 pm 2 1s
F2 150.6 kJ/mole 142 pm 2 2p
Valence bond theory bonds are formed by

sharing of e- from overlapping atomic orbitals.
10.3
Change in Potential Energy of Two Hydrogen Atoms
as a Function of Their Distance of Separation
10.3
Change in electron
density as two hydrogen
atoms approach each
other.
10.3
Valence Bond Theory and NH3
N 1s22s22p3
3 H 1s1
If the bonds form from overlap of 3 2p orbitals on nitrogen

with the 1s orbital on each hydrogen atom, what would
the molecular geometry of NH3 be?
If use the
3 2p orbitals
predict 900
Actual H-N-H
bond angle is
107.30
10.4
Hybridization mixing of two or more atomic
orbitals to form a new set of hybrid orbitals.
1. Mix at least 2 nonequivalent atomic orbitals (e.g. s
and p). Hybrid orbitals have very different shape
from original atomic orbitals.
2. Number of hybrid orbitals is equal to number of
pure atomic orbitals used in the hybridization
process.
3. Covalent bonds are formed by:
a. Overlap of hybrid orbitals with atomic orbitals
b. Overlap of hybrid orbitals with other hybrid
orbitals
10.4
Formation of sp3 Hybrid Orbitals
10.4
10.4
Predict correct
bond angle
10.4
Formation of sp Hybrid Orbitals
10.4
Formation of sp2 Hybrid Orbitals
10.4
How do I predict the hybridization of the central atom?
1. Draw the Lewis structure of the molecule.

2. Count the number of lone pairs AND the number of
atoms bonded to the central atom
# of Lone Pairs
+
# of Bonded Atoms Hybridization Examples
2 sp BeCl2
3 sp2 BF3
4 sp3 CH4, NH3, H2O
5 sp3d PCl5
6 sp3d2 SF6
10.4
10.4
10.5
10.5
Pi bond () electron density above and below plane of nuclei
Sigma bond () electron density between the 2 atoms
of the bonding atoms 10.5
10.5
10.5
10.5
Describe the bonding in CH2O.
H
C O
H
C 3 bonded atoms, 0 lone pairs
C sp2
10.5
Sigma () and Pi Bonds ()
Single bond 1 sigma bond
Double bond 1 sigma bond and 1 pi bond
Triple bond 1 sigma bond and 2 pi bonds
How many and bonds are in the acetic acid

(vinegar) molecule CH3COOH?
O
H
bonds = 6 + 1 = 7
H C C O H
bonds = 1
H
10.5
Experiments show O2 is paramagnetic
O
O
No unpaired e-
Should be diamagnetic
Molecular orbital theory bonds are formed from

interaction of atomic orbitals to form molecular
orbitals.
10.6
Energy levels of bonding and antibonding molecular
orbitals in hydrogen (H2).
A bonding molecular orbital has lower energy and greater

stability than the atomic orbitals from which it was formed.
An antibonding molecular orbital has higher energy and

lower stability than the atomic orbitals from which it was
formed. 10.6
10.6
10.6
Two Possible Interactions Between Two Equivalent p Orbitals
10.6
Molecular Orbital (MO) Configurations
1. The number of molecular orbitals (MOs) formed is always

equal to the number of atomic orbitals combined.
2. The more stable the bonding MO, the less stable the
corresponding antibonding MO.
3. The filling of MOs proceeds from low to high energies.
4. Each MO can accommodate up to two electrons.
5. Use Hunds rule when adding electrons to MOs of the
same energy.
6. The number of electrons in the MOs is equal to the sum of
all the electrons on the bonding atoms.
10.7
Number of Number of
bond order =
1
2 ( electrons in
bonding
MOs
- electrons in
antibonding
MOs
)
bond
1 0
order
10.7
10.7
Delocalized molecular orbitals are not confined between
two adjacent bonding atoms, but actually extend over three
or more atoms.
10.8
Electron density above and below the plane of the
benzene molecule.
10.8
10.8
Chemistry In Action: Buckyball Anyone?

Hybridisation

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Chemical Bonding II:

Molecular Geometry and

Predict the geometry of the molecule from the electrostatic

AB2 2 0 linear linear

2 atoms bonded to central atom 10.1

AB2 2 0 linear linear

AB2 2 0 linear linear

AB2 2 0 linear linear

AB2 2 0 linear linear

AB4 4 0 tetrahedral tetrahedral

AB4 4 0 tetrahedral tetrahedral

AB2E2 2 2 tetrahedral bent

AB6 6 0 octahedral octahedral

AB6 6 0 octahedral octahedral

What are the molecular geometries of SO2 and SF4?

Sharing of two electrons between the two atoms.

Bond Dissociation Energy Bond Length Overlap Of

F2 150.6 kJ/mole 142 pm 2 2p

Valence bond theory bonds are formed by

If the bonds form from overlap of 3 2p orbitals on nitrogen

1. Draw the Lewis structure of the molecule.

4 sp3 CH4, NH3, H2O

Single bond 1 sigma bond

Double bond 1 sigma bond and 1 pi bond

Triple bond 1 sigma bond and 2 pi bonds

How many and bonds are in the acetic acid

Molecular orbital theory bonds are formed from

A bonding molecular orbital has lower energy and greater

An antibonding molecular orbital has higher energy and

1. The number of molecular orbitals (MOs) formed is always

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