Short communication, Note

Simple Topological Formula for Dewar Resonance Energies of Benzenoid Molecules

I. Gutman ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia

Abstract

Dewar and co-workers1 have reinvestLgated the classical concept of resonance energy, CRE, and by making use of a polyene reference structUJI'e instead of the ethylene reference structure they were able to obtain giood agreement between the SCF pi-MO calculations ·and experianerutal findings for both benzenoid and non-benzenoid molecules. This new concept, later named2 »Dewar resonance energy«, was used with equal success within the framework o.f Ruckel theorry3• Extensive tables of DRE value of benzenoid hydrocarbons have been published3a

Keywords

Hrčak ID:

196459

URI

https://hrcak.srce.hr/196459

Publication date:

23.9.1976.

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