ON TOPOLOGICAL CHARGE STABILIZATION IN HETEROCYCLIC-COMPOUNDS

According to Gimarc's principle of topological charge stabilization, h eteroatomic molecules are topologically stabilized when more electrone gative atoms are placed in those positions where atom-atom connectivit y and the electron-filling level provide the highest electron charge i n the reference hydrocarbon Frame. Recently, we showed that the relati ve atomic moments of energy (the frequencies of atomic Self-returning walks) in such uniform molecular skeletons are equal to the respective squared principal eigenvector coefficients. We show here that For con jugated heterocyclic molecules these partial atomic charges follow clo sely the patterns mirrored by topological charge stabilization and, by producing a nonuniform charge distribution in alternant molecules, en able the broader application of this principle to such molecules.