Giant benzenoid hydrocarbons. Superphenalene resonance energy

Abstract

We have calculated the molecular resonance energy for "‘superphenalene,’' a recently reported giant benzenoid that can be viewed as obtained from three fused "‘superbenzenes’' (hexa-peri-hexabenzocoronenes). Using the method of conjugated circuits we derived quantitative characterization of Clar's qualitative description of the considered benzenoids as composed from disjoint "‘π-sextets.'' The calculations show the degree of differentiation between neighboring rings, which decreases as we progressively move towards the center of the molecule.