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Number of kekulé structures of single-chain corona-condensed benzenoids (cycloarenes)

✍ Scribed by John L. Bergan; Sven J. Cyvin; Bjorg N. Cyvin

Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
222 KB
Volume
125
Category
Article
ISSN
0009-2614

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✦ Synopsis

Explicit formulas are given for the number of Kekul6 structures of some classes of corona-condensed benzenoids. A general algorithm for cycloarenes is reported.

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It is known that an alternative algorithm to the Gordon-Davidson algorithm for counting the Kekule valence structures of catacondensed non-branched benzenoid hydrocarbons is a reformulation of the original algorithm. Recently an alternative algorithm [ 1,2] to the Gordon-Davison (GD) algorithm [ 31

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The linear dependence, previously claimed, of the total -rr-electron energy (E~) of isomeric benzenoid hydrocarbons on the number of Kekul6 structures (K) is found to be a satisfactory approximation only for benzenoids having eight or fewer six-membered rings (h ~< 8), and is violated if h >1 9. For