Perimeter topology of benzenoid polycyclic hydrocarbons

被引:35
作者
Dias, JR [1 ]
机构
[1] Univ Missouri, Dept Chem, Kansas City, MO 64110 USA
关键词
D O I
10.1021/ci0500334
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
The equivalence of the perimeter topological equations derived by Dias and the 13 possible modes of hexagon adjacency in fused benzenoid systems subsequently presented by Cyvin, Gutman, and collaborators is shown. The aufbau principle for generation of all fused total resonant sextet (TRS) benzenoid hydrocarbons is proved. The precise distinction and topological properties between fused, nonfused, strain-free, strained, helical, and nonhelical benzenoid hydrocarbons are carefully delineated. The TRS benzenoid isomers have the maximum number of bay regions, and expressions for the number of bay regions that any given TRS benzenoid will have are given.
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页码:562 / 571
页数:10
相关论文
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