A novel method for the calculation of the number Kof Kekult structures of benzenoid hydrocarbons is presented. K= ) det WI, where W is a matrix whose entries are the K values of certain fragments of the benzenoid system considered.
Identification of the Kekulé, structures of a hexagonal system
✍ Scribed by Rong-qin Sheng
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 291 KB
- Volume
- 142
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
An economical two-vertex elimination method for deciding whether or not a given polyeyclic aromatic hydrocarbon has Kekult structures is suggested. New concepts of convex (concave) vertices, rectangular sets, convex rectangular sets and convex pairs are introduced.
📜 SIMILAR VOLUMES
A procedure 1s described which allows the evaluation of the number of Kekule structures, K, for any polymer. In the case of regular polymers explicit recurrence relations for K are derived where the order of the recurrence depends on the number of edges linking two consecutive monomers.
The number of Kekult structures for primitive coronoids is studied. The systems have obvious counterparts within a class of hydrocarbons known as cycloarenes. Complete solutions are given for centrosymmetrical primitive coronoids and those with trigonal or hexagonal symmetries. The technique is base