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Molecular Orbital diagram for
[Fe(CN)6]3- and [FeF6]3-
complexes
Dr. Mithil Fal Desai
Shree Mallikarjun and Shri Chetan
Manju Desai College Canacona Goa
a1g, t1u, eg (σ)
Ligand (CN)- group orbitals
6 x 2 = 12 e- σ
M. O. diagram for [Fe(CN)6]3- complex
t2g, eg
a1g
t1u
t*
1u
a*
1g
e*
g
eg
a1g
t1u
Δo
t2g
Metal (Fe) orbitals
Fe3+→[Ar] 3d5, 4s0
5e-
t*
2g
t2g (π*)
t2g (π)
[Fe(CN)6]3-
molecular orbitals
(CN)- is π acceptor ligand
Low spin
Energy
t2g, eg
a1g, t1u, eg (σ)
a1g
t1u
t*
1u
a*
1g
e*
g
eg
a1g
t1u
Δo
t2g
Ligand (F-) group orbitals
6 x 2 = 12 e- σ
3 x 2 = 6 e- π
Metal (Fe) orbitals
Fe3+→[Ar] 3d5, 4s0
5e-
t*
2g
t2g (π)
M. O. diagram for [FeF6]3- complex
t2g (π*)
[Fe(F)6]3-
molecular orbitals
(F-) is π donor ligand
High spin
Energy

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Molecular orbitals diagrams of hexacyanoferrate(III) and hexafluoroferrate(III)

  • 1. Molecular Orbital diagram for [Fe(CN)6]3- and [FeF6]3- complexes Dr. Mithil Fal Desai Shree Mallikarjun and Shri Chetan Manju Desai College Canacona Goa
  • 2. a1g, t1u, eg (σ) Ligand (CN)- group orbitals 6 x 2 = 12 e- σ M. O. diagram for [Fe(CN)6]3- complex t2g, eg a1g t1u t* 1u a* 1g e* g eg a1g t1u Δo t2g Metal (Fe) orbitals Fe3+→[Ar] 3d5, 4s0 5e- t* 2g t2g (π*) t2g (π) [Fe(CN)6]3- molecular orbitals (CN)- is π acceptor ligand Low spin Energy
  • 3. t2g, eg a1g, t1u, eg (σ) a1g t1u t* 1u a* 1g e* g eg a1g t1u Δo t2g Ligand (F-) group orbitals 6 x 2 = 12 e- σ 3 x 2 = 6 e- π Metal (Fe) orbitals Fe3+→[Ar] 3d5, 4s0 5e- t* 2g t2g (π) M. O. diagram for [FeF6]3- complex t2g (π*) [Fe(F)6]3- molecular orbitals (F-) is π donor ligand High spin Energy