Topological Effect on MO Energies, II.
OSKAR E. POLANSKY, M. Zander, Ioan Moţoc · Zeitschrift für Naturforschung A · 1983
Abstract The recently introduced approach of S, T isomers [1] has been applied to aza-benzenes and aza-perylenes. Ab initio and HMO calculations as well as experimental results clearly show that the S.T approach is a suitable means to derive definite predictions concerning the MO patterns and HOMO energies of structurally related aza-arenes.