Molecular orbital theory of octahedral complexes

1. Molecular Orbital (M. O.)
Theory (Octahedral
Complexes)
Dr. Mithil Fal Desai
Shree Mallikarjun and Shri Chetan
Manju Desai College Canacona Goa

2. A σ M. O. for octahedral complex
t2g, eg
a1g, t1u, eg
a1g
t1u
t*
1u
a*
1g
e*
g
eg
a1g
t1u
Δo
t2g
Ligand group orbitalsMetal orbitals

3. a1g, t1u, eg (σ)
Ligand group orbitals
A σ and π M. O. diagram for octahedral complex
(n-1)d t2g, eg
(ns) a1g
(np) t1u
t*
1u
a*
1g
e*
g
eg
a1g
t1u
Δo
t2g
Metal orbitals
t*
2g
t2g (π*)
t2g (π)
MX6 molecular
orbitals
π acceptor ligand

4. (n-1)d t2g, eg
a1g, t1u, eg (σ)
(ns) a1g
(np) t1u
t*
1u
a*
1g
e*
g
eg
a1g
t1u
Δo
t2g
Ligand group orbitalsMetal orbitals
t*
2g
t2g (π)
A σ and π M. O. diagram for octahedral complex
t2g (π*)
MX6 molecular
orbitals
(t1u, t1g, t2u, t2g)
π donor ligand