Alternative Explanation of Metal Orbital Energy Orders in Coordination Compounds with Strong Ligandhyphen;Ligand Interactions

摘要

The relative order ofdorbital energies in symmetrical molecules is determined in the case of highly interacting ligandhyphen;ligand orbitals. For most symmetries this sequence turns out to be the same as obtained from crystalhyphen;field or molecularhyphen;orbital theory. The method starts from the order of ligand orbitals gained by topological considerations. The central metalhyphen;ligand interaction is then treated by a perturbation in which the variation ofEdthinsp;minus;thinsp;Ex(energies for metaldand ligandxorbitals) is considered as the predominant factor.