The classification of tensor surface harmonic functions for clusters and coordination compounds

Abstract

A simple method for enumerating theL ^σ and$L^\pi /\bar L^\pi$ functions for polyhedral cluster and coordination molecules, within Stone's tensor surface harmonic methodology, is described. The nature of theL ^σ orbitals which are generated depends on the polyhedral topology and in particular the number of layers of vertices and the number of vertices within each layer. The$L^\pi /\bar L^\pi$ functions are enumerated from theL ^σ's by a number of spherical harmonic multiplication rules.