On the dependence of the total π-electron energy of a benzenoid hydrocarbon on the number of Kekulé structures

Abstract

Cioslowski recently put forward a theory according to which the total π-electron energy ( E) of a benzenoid hydrocarbon is a function of the variable K 2/ n , where K is the Kekulé structure count and n is the number of carbon atoms. As a good approximation E is a linear function of K 2/ n . We show that the same conclusion about the dependence of E on K can be obtained using an alternative reasoning, namely by applying Coulson-type integral formulae for E.