On the Reference Structure for the Resonance Energy of Aromatic Hydrocarbons

Abstract

To use the Zagreb Group and Aihara definition of resonance energy, it is necessary that the roots of the reference polynomial all be real. A partial proof that they are has been obtained in three ways. Direct solution of the reference polynomial for annulenes shows all roots real in this case. Application of Sturm sequences promises the complete proof in principle, but requires the proof of inequalities which we have so far resolved only for molecules with four or fewer atoms. A graph theoretical approach succeeds for all conjugated hydrocarbons in which no edge is shared by two rings. It is also suggested that the reference polynomial may be used for discriminating planar isospectral molecules

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