Electron and energy contents of hexagons in benzenoid hydrocarbons

Abstract

In analogy to the recently introduced concept of π-electron content of a ring (EC), that is calculated from the Pauling bond orders, we define the π-electron energy content of the ring (ec), calculated in an analogous manner from the Coulson bond orders. The relations between EC and ec are analyzed for the rings of catacondensed benzenoid hydrocarbons.