PAULING BOND ORDERS IN CORONOID HYDROCARBONS - A GENERAL-SOLUTION

被引：2

作者：

BRUNVOLL, J ^{[1
]}

CYVIN, BN ^{[1
]}

CYVIN, SJ ^{[1
]}

机构：

[1] UNIV TRONDHEIM,DIV PHYS CHEM,N-7034 TRONDHEIM,NORWAY

来源：

STRUCTURAL CHEMISTRY | 1992年 / 3卷 / 02期

关键词：

D O I：

10.1007/BF00671808

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Benzenoid and coronoid systems are considered. A bond order is defined in terms of the elements of the inverse of a skew-symmetric adjacency matrix. It is conjectured that it is identical with the Pauling bond order. A computer program was designed for computing Pauling bond orders of Kekulean coronoids in general. Numerical examples are given. The skew-symmetric adjacency matrix was exploited for recognition of essentially disconnected coronoid systems. The 29 smallest essentially disconnected coronoids with the phenalene hole are depicted.

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页码：103 / 111

页数：9

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