The overlap integral in the molecular-orbital theory of conjugated compounds. II. Hydrocarbons

Abstract

Certain simplifications to the general molecular-orbital theory with inclusion of overlap, developed in Part I of this series, arise when it is applied to hydrocarbon systems. The simpler formulae for atom and bond charges and for polarizabilities are presented, together with some inequalities and identities which apply to hydrocarbon systems. The law of alternating polarity for the atom charge density is established for alternant conjugated systems.