Use of 4p Orbitals in Metal-Aromatic Complexes

Abstract

The use of 4p orbitals of the central metal atom in metal‐aromatic complexes is discussed. It is shown that, within the usual assumptions of the semiempirical molecular‐orbital method, it is necessary to use Slater orbitals of a nonintegral power and with an exponent close to that calculated by the Slater rules. The electroneutrality principle of Pauling is also discussed and a large charge transfer within these complexes is found to contradict the original assumptions of the molecular‐orbital theory.