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Chapter 2 Mot PDF
Chapter 2 Mot PDF
CHAPTER 2:
4) Bond order
LEARNING OUTCOMES
Can form sigma bonding molecular orbital (σ) & sigma antibonding
molecular orbital (σ ⃰ ).
The electron density is concentrated above and below a line joining the
two nuclei of the bonding atom.
s*2s
ORBITAL DIAGRAM
Li:3 ↑↓ ↑
1s 2s ↑ ↑
2s 2s
Energy
↑↓
ELECTRONIC CONFIGURATION s2s
(σ1s)2 (σ⃰1s)2 (σ2s)2
s*1s
↑↓
↑↓ ↑↓
1s 1s
↑↓
Li 1 s1s Li 2
Be2 ENERGY DIAGRAM
s*2s
ORBITAL DIAGRAM ↑↓
Be:4 ↑↓ ↑↓
1s 2s
↑↓ ↑↓
Energy
2s 2s
↑↓
ELECTRONIC CONFIGURATION s2s
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2
s*1s
↑↓
↑↓ ↑↓
1s 1s
↑↓
Be 1 s1s Be 2
s⃰2px
B2 ENERGY DIAGRAM
π⃰2py π⃰2pz
↑ ↑
s2px
2px 2py 2pz 2px 2py 2pz
Energy
↑↓
π2py π2pz
↑ ↑
ELECTRONIC CONFIGURATION
s*2s
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (π2p)2
↑↓
↑↓ ↑↓
2s
↑↓
2s
B1 s2s B2
s⃰2px
C2 ENERGY DIAGRAM
π⃰2py π⃰2pz
↑ ↑ ↑ ↑
s2px
2px 2py 2pz 2px 2py 2pz
Energy
↑↓
π2py π2pz
↑↓ ↑↓
ELECTRONIC CONFIGURATION
s*2s
(σ1s)2 (σ⃰1s)2 (σ2S)2 (σ⃰2S)2 (π2p)4
↑↓
↑↓ ↑↓
2s
↑↓
2s
C1 s2s C2
s⃰2px
N2 ENERGY DIAGRAM
π⃰2py π⃰2pz
↑ ↑ ↑ ↑ ↑ ↑
s2px
2px 2py 2pz 2px 2py 2pz
Energy
↑↓
π2py π2pz
↑↓ ↑↓
ELECTRONIC CONFIGURATION
s*2s
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (π2p)4 (σ2p)2
↑↓
↑↓ ↑↓
2s
↑↓
2s
N1 s2s N2
s⃰2px
O2 ENERGY DIAGRAM
π⃰2py π⃰2pz
↑ ↑
↑↓ ↑ ↑ ↑↓ ↑ ↑
π2py π2pz
2px 2py 2pz 2px 2py 2pz
Energy
↑↓ ↑↓
s2px
↑↓
ELECTRONIC CONFIGURATION
s*2s
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (σ2p)2 (π2p)4 (π⃰2p)2
↑↓
↑↓ ↑↓
2s
↑↓
2s
O1 s2s O2
s⃰2px
F2 ENERGY DIAGRAM
π⃰2py π⃰2pz
↑↓ ↑↓
↑↓ ↑↓ ↑ ↑↓ ↑↓ ↑
π2py π2pz
2px 2py 2pz 2px 2py 2pz
Energy
↑↓ ↑↓
s2px
↑↓
ELECTRONIC CONFIGURATION
s*2s
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (σ2p)2 (π2p)4 (π⃰2p)4
↑↓
↑↓ ↑↓
2s
↑↓
2s
F1 s2s F2
s⃰2px
Ne2 ENERGY DIAGRAM
↑↓
π⃰2py π⃰2pz
↑↓ ↑↓
↑↓ ↑↓ ↑↓ ↑↓ ↑↓ ↑↓
π2py π2pz
2px 2py 2pz 2px 2py 2pz
Energy
↑↓ ↑↓
s2px
↑↓
ELECTRONIC CONFIGURATION
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (σ2p)2 (π2p)4 (π⃰2p)4 (σ⃰2p)2
s*2s
↑↓
↑↓ ↑↓
2s
↑↓
2s
Ne 1 s2s Ne 2
s⃰2px
O2+ ENERGY DIAGRAM
π⃰2py π⃰2pz
↑
↑↓ ↑ ↑ ↑ ↑ ↑
π2py π2pz
2px 2py 2pz 2px 2py 2pz
Energy
↑↓ ↑↓
s2px
↑↓
ELECTRONIC CONFIGURATION
s*2s
(σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (σ2p)2 (π2p)4 (π⃰2p)1
↑↓
↑↓ ↑↓
2s
↑↓
2s
O1 s2s O+ 2
s⃰2px
F2-2 ENERGY DIAGRAM
↑↓
π⃰2py π⃰2pz
↑↓ ↑↓
↑↓ ↑↓ ↑↓ ↑↓ ↑↓ ↑↓
π2py π2pz
2px 2py 2pz 2px 2py 2pz
Energy
↑↓ ↑↓
s2px
↑↓
ELECTRONIC CONFIGURATION
s*2s (σ1s)2 (σ⃰1s)2 (σ2s)2 (σ⃰2s)2 (σ2p)2 (π2p)4 (π⃰2p)4 (σ⃰2p)2
↑↓
↑↓ ↑↓
2s
↑↓
2s
F- 1 s2s F- 2
ENERGY LEVEL
B, C and N
Atoms are larger, when 2p AO are half-filled, repulsion are relatively small
2p energy are much closer with 2s energy – some mixing occurs
This orbital mixing lowers the energy of the σ2s and σ*2s MO and raises the
energy of σ2p and σ*2p
O, F and Ne
Atoms are small, so relatively strong repulsion occur as the 2p electron
pair up
These repulsion raise energy of the 2p orbitals high enough above the
energy of 2s orbitals to minimize orbital mixing
MAGNETISM
Diamagnetic:
Substances that do not contain unpaired electrons. (All
electrons are paired)
Magnetic effect cancel out, thus repel a magnet.
Paramagnetic:
Substances that contain at least one unpaired electrons.
Attracted by a magnet
BOND ORDER
Bond order is an indication of bond strength because it reflects the
difference between the number of bonding electrons and the number of
antibonding electrons.
can be a fraction.
A larger bond order indicates a greater bond strength and a shorter bond
length.
BOND ORDER
Uses:
1) To evaluate the stabilities of a compound.
2) As an indication of the strength of a bond.
3) As an indication of the existence of a molecule.
a) Li2
b) Be2
c) B2
d) C2
e) N2
f) O2
g) F2
h) Ne2
Figure 11.21
MO occupancy
and molecular
properties for B2
through Ne2
Sample Problem 11.4 Using MO Theory to Explain Bond Properties
N2 N2+ O2 O2 +
s2p s2p
2p 2p
s2p 2p
2p s2p
s2s s2s
s2s s2s
LUMO
HOMO
Example: The MO diagram for H2.
H2 bond order
= 1/2(2-0) = 1
s*1s
Energy
Structure
= H-H
1s
1s
Magnetism
s1s =Diamagnetic
AO MO AO
of H of H2 of H HOMO
=s1s
LUMO
=s*1s
SUMMARY