1-Chemical Bonding (Part 2) - 1

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Chemical Bonding II:

Molecular Geometry and


Hybridization of Atomic Orbitals

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Copyright © The McGraw-Hill Companies, Inc. Permission required for reproduction or display.
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

2
0 lone pairs on central
atom

Cl Be Cl

3
2 atoms bonded to central atom
VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB2 2 0 linear linear


trigonal trigonal
AB3 3 0
planar planar

4
5
VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB2 2 0 linear linear


trigonal trigonal
AB3 3 0
planar planar
AB4 4 0 tetrahedral tetrahedr
al

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB2 2 0 linear linear


trigonal trigonal
AB3 3 0
planar planar
AB4 4 0 tetrahedral tetrahedral
trigonal trigonal
AB5 5 0
bipyramidal bipyramidal

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB2 2 0 linear linear


trigonal trigonal
AB3 3 0
planar planar
AB4 4 0 tetrahedral tetrahedral
trigonal trigonal
AB5 5 0
bipyramidal bipyramidal
AB6 6 0 octahedral octahedral

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lone-pair vs. lone lone-pair vs. bonding-pair vs.
pair
> bonding
> bonding
repulsion pair repulsion pair repulsion
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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

trigonal trigonal
AB3 3 0
planar planar
trigonal
AB2E 2 1 bent
planar

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB4 4 0 tetrahedral tetrahedral


trigonal
AB3E 3 1 tetrahedral
pyramidal

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB4 4 0 tetrahedral tetrahedral


trigonal
AB3E 3 1 tetrahedral
pyramidal

AB2E2 2 2 tetrahedral bent

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry
trigonal trigonal
AB5 5 0
bipyramidal bipyramidal
trigonal distorted
AB4E 4 1
bipyramidal tetrahedron

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry
trigonal trigonal
AB5 5 0
bipyramidal bipyramidal
trigonal distorted
AB4E 4 1
bipyramidal tetrahedron
trigonal
AB3E2 3 2 T-shaped
bipyramidal

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB5 5 0 trigonal trigonal


bipyramidal bipyramidal
trigonal distorted
AB4E 4 1
bipyramidal tetrahedron
trigonal
AB3E 3 2 T-shaped
bipyramidal
2
AB2E3 2 3 trigonal linear
bipyramidal

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB6 6 0 octahedral octahedral

octahedral square
AB5E 5 1
pyramidal

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VSEPR
# of atoms # lone
bonded to pairs on Arrangement of Molecular
Class central atom central atom electron pairs Geometry

AB6 6 0 octahedral octahedral

octahedral square
AB5E 5 1
pyramidal
octahedral square
AB4E2 4 2
planar

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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
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 GeF2

 BrF3

 CO2

 BCL3

 PCL5

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Dipole Moments and Polar Molecules

electron
electron
rich
poor
region
region
H F

δ δ
+ −

μ=Qxr
Q is the charge
r is the distance between charges
1 D = 3.36 x 10-30 C m 26
Behavior of Polar Molecules

field off field on 27


Bond moments and resultant dipole moments in NH3 and NF3.

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Which of the following molecules have a dipole moment?
H2O, CO2, SO2, and CF4

O S
H O
H O
dipole moment dipole moment
polar molecule polar molecule

C
O C O
F F
no dipole moment F
nonpolar molecule no dipole moment
nonpolar molecule
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Does BF3 have a dipole
moment?

Does CH2Cl2 have a dipole moment?

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Valence Bond Theory
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
SP Hybridization: Mixing of one atomic orbital (S) and one
atomic orbital (P) to give two hybrid orbitals (SP) as shown in
BeCl2

Linear structure of BeCl2


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Bond angle = 180o
SP2 Hybridization: Mixing of one atomic orbital (S) and two
atomic orbitals (P) to give three hybrid orbitals (SP2) as shown in
BF3

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Formation of sp2 Hybrid Orbitals

Trigonal planar structure of BF3


Bond angle = 120o
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SP3 Hybridization: Mixing of one atomic orbital (S) and three
atomic orbitals (P) to give four hybrid orbitals (SP3) as shown in
Methane molecule [CH4]

Tetrahedral structure of methane


Bond angle = 109.5o 36
Formation of sp3 Hybrid Orbitals

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sp3-Hybridized N Atom in NH3

Trigonal pyrimidal structure of NH3


Bond angle = 107.3o
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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 42
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sp2 Hybridization of Carbon

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Unhybridized 2pz orbital (gray), which is perpendicular
to the plane of the hybrid (green) orbitals.

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Bonding in Ethylene, C2H4

Sigma bond (σ) – electron density between the 2 atoms


Pi bond (π) – electron density above and below plane of nuclei
of the bonding atoms 46
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Another View of π Bonding in Ethylene, C2H4

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sp Hybridization of Carbon

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Bonding in Acetylene, C2H2

Another View of the Bonding in


Acetylene, C2H2

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Describe the bonding in CH2O.

H
C O
H
C – 3 bonded atoms, 0 lone pairs
C – sp2

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Sigma (σ) and Pi Bonds (π)

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 σ and π bonds are in the acetic acid (vinegar)


molecule CH3COOH?

H
O

σ bonds = 6 + 1 =
H C C O H
π bonds = 1 7
H 52
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 Hund’s 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.

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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. 54
General molecular orbital energy level diagram for the
second-period homonuclear diatomic molecules Li2, Be2, B2,
C2, and N2.

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Number of Number of
bond order
=
1
2 ( electrons in
bonding
MOs
-
electrons in
antibonding
MOs
)

bond
½ 1 ½ 0
order 56
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