Relation between electron and energy contents of hexagons in catacondensed benzenoid hydrocarbons

Abstract

The concept of electron content (EC) of hexagons in benzenoid hydrocarbons has been recently introduced in a series of scientific papers. In full analogy to it one may conceive also the energy content (ec) of hexagons. These contents are mutually related, but not in a manner that could be anticipated. On the basis of the EC- and ec-values calculated for a large number of catacondensed benzenoid hydrocarbons we establish the actual relation between these quantities. Within hexagons of the same type (terminal, linearly annelated, angularly annelated, and branched) the relation between ec and EC is nearly linear and the respective regression lines are nearly parallel and equidistant.