User:Chem507f10grp4/roughdraftsandbox

A view of the bonding in an octahedral transition metal complex, may be created using molecular orbital theory. This approach to understanding bonding in transition metal complexes is known as ligand field theory, and arises from a combination of crystal field theory and molecular orbital theory.

The simplest approach considers sigma bonding only. A set of group orbitals representing six ligands is constructed from the set of 6 ligand orbitals. Using a group theoretical approach, the symmetries of the ligand group orbitals can be shown to be a1g, t1u, and eg., These group orbitals interact with the metal d, s, and p orbitals (which have symmetries of eg/t2g, a1g, and t1u, respectively) to form molecular orbitals. The metal dxy, dxz, and dyz orbitals are of t2g symmetry. Because there is no ligand group orbital of suitable symmetry to interact with these orbitals, they form nonbonding molecular orbitals.

The molecular orbitals may then be filled with electrons, with two electrons coming from each of the ligands for a total of 12 electrons. If the metal has any d-electrons, they will populate the t2g and eg* orbitals, as predicted by crystal field theory.