Croatica Chemica Acta, Vol. 79 No. 3, 2006.
Original scientific paper
On Algebraic and Geometric Kekulé Structures in Benzenoid Rotagraphs
Ante Graovac
Damir Vukičević
Janez Žerovnik
Abstract
Recently introduced algebraic Kekulé structures (AKS) describe the π-electron distribution within rings of a conjugated network. The ratio of the AKS count to the classical Kekulé structures count was studied in benzenoid rotagraphs. By considering three representative classes of such rotagraphs, it was shown that this ratio tends towards either 1 or 0, or its value lies between 0 and 1.
Keywords
Kekulé structures; Kekulé structure count; geometric and algebraic Kekulé structures; benzenoids; rotagraph
Hrčak ID:
5629
URI
Publication date:
12.11.2006.
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