Original scientific paper

Some Observations on the Topological Resonance Energy of Benzenoid Hydrocarbons

I. Gutman ; Faculty of Science, University of Kragujevac, 34000 Kragujevac, Yugoslavia
B. Mohar ; Faculty of Science and Technology, University of Ljubljana, 61111 Ljubljana, Yugoslavia

Abstract

Two empirical rules are formulated for the topological resonance
energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly
linear function of the number of Kekule structures, and (b) in
a homologous series containing a linear polyacene fragment, TRE
is a linear function of the length of this fragment.
In certain cases, however, the TRE model leads to incorrect
predictions. There exist pairs of isomeric benzenoid hydrocarbons,
in which the isomer with a greater number of Kekule structures
has smaller TRE.
The present study indicates that the TRE model needs to be
critically revised.

Keywords

Hrčak ID:

194253

URI

https://hrcak.srce.hr/194253

Publication date:

15.12.1982.

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