Non-bonding orbitals in co-ordination, hydrocarbon and cluster compounds

Abstract

The origin of non-bonding orbitals in molecular compounds is reviewed and analysed using general quantum mechanical considerations. A combination of the pairing theorem and a group theoretical analysis leads to a definition of the number of non-bonding molecular orbitals in co-ordination, polyene and cluster compounds. The non-bonding molecular orbitals have been generated by defining the nodal characteristics of the relevant orbitals and evaluating the solutions under the appropriate boundary conditions. The stereochemical rôle of non-bonding molecular orbitals in co-ordination compounds is discussed with particular reference to main group and transition metal examples.KeywordsMolecular OrbitalIrreducible RepresentationPoint GroupCentral AtomValence OrbitalThese keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.