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Edward A. Mottel - Molecular Orbital Theory
Edward A. Mottel - Molecular Orbital Theory
Edward A. Mottel - Molecular Orbital Theory
A Little Review
Molecular Orbitals
a bond forms
1s atomic orbital 1s atomic orbital sb molecular orbital
sigma s bonding molecular orbital
Molecular Orbitals
SIGMA BOND ()
A bond between two atoms in which the electron density of the molecular orbital is between the two nuclei is called a sigma bond. nuclei ( sb)2 molecular orbital
An s orbital value can either be less than zero or greater than zero. The two lobes of a p orbital are separated by a node and have opposite signs.
Sigma Bonds
(zb)
z
(z*)
Sigma Bonds
(zb) b indicates a bonding molecular orbital
Sigma Bonds
(sb)
z
(s*)
Pi Bond Formation
y
Pi Bond Formation
y y
Antibond Formation
What is the symbol of a antibond? How is a antibond formed? What does a antibond look like?
Pi Antibond Formation
y y
Pi Bonds
y* y yb
yb
xb
x*
xb xb
yb yb
2s 1s
Nonbonding molecular Antibonding Bonding molecular Sigma bonds and orbitals antibonds z 2 2
2s 1s
2s 1s
2p
2s 1s
2p energy
2s 1s
z* x,y* zb x,yb s* sb sn
Compare the bond order, bond length and magnetic properties of O2, O2+ , O2 and O22 z* x,y* 2p x,yb zb s* 2 + 2s b 2 s energy 1s n s
Dioxygen
O O
Compare the physical properties predicted for Dioxygen by the Lewis Dot Diagram and MO Theory
O O
Bond Order
Lewis Dot Structure Molecular Orbital Theory
2 2
Compare the physical properties for the Dioxygenyl(I) Ion, Dioxygen, Superoxide Ion and Peroxide Ion Bond Length Bond Order 2.5 2 1.5 1 Magnetic Properties paramagnetic (1) paramagnetic (2) paramagnetic (1) diamagnetic
O2+ O2 O2 O22
Oxygen-Oxygen Bonds
O O
H O O H
2p
2s 1s
z* x,y* x,yb zb s* b s n s
energy
Homodiatomic Molecules
Electronic Configuration
H2 ( sb)2 He2 ( sb)2 ( s*)2 Li2 ( sn)4 ( sb)2 Be2 ( sn)4 ( sb)2 ( s*)2 bond bond length magnetic order properties () 1 0 1 0 2.67 diamagnetic 0.74 diamagnetic
Homodiatomic Molecules
Electronic Configuration
C2 ( sn)4 (sb)2 (s*)2 ( x,yb)4 N2 ( sn)4 (sb)2 (s*)2 (x,yb)4 (zb)2 O2 ( sn)4 (sb)2 (s*)2 (x,yb)4 (zb)2 (x*)1 ( F2 ( sn)4 (sb)2 (s*)2 (x,yb)4 (zb)2 (x,y*)4 Ne2 ( sn)4 (sb)2 (s*)2 (x,yb)4 (zb)2 (x,y*)4
Homodiatomic Molecules
bond order C2 N2 O2 F2 Ne2 2 3 2 1 0 bond length () 1.31 1.10 1.207 1.42 magnetic properties
diamagnetic diamagnetic paramagnetic diamagnetic
or
C O
CO
+
+ +
+
-
+
+ -
+ ++ + + +
+ + - + +
+
-
- ++ -
- + - +
CO
+ +
+ -
Be
BeH2
2H
Nitrate Ion
O O N O
O O N O
O O N O
Nitrate Ion
O O N O
1.22
Nitrate Ion
2 z
O O N O
Nitrate Ion
O O N O
Nitrate Ion
O O N O
y
y
Nitrate Ion
y
Nitrate Ion
y
NO3
3O
NO3
3O
NO3
3O
CO