Balancing the Pauling bond orders in Kekulean benzenoid hydrocarbons

被引:1
|
作者
Morikawa, T [1 ]
Narita, S
Gutman, I
机构
[1] Joetsu Univ Educ, Dept Chem, Joetsu 9438512, Finland
[2] Shinshu Univ, Fac Text Sci & Technol, Ueda, Nagano 3868567, Japan
[3] Univ Kragujevac, Fac Sci, YU-34000 Kragujevac, Serbia
来源
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2004年 / 686卷 / 1-3期
关键词
balance rule; Pauling bond order; Kekulean edge-cut; benzenoid hydrocarbon; bipartite graph;
D O I
10.1016/j.theochem.2004.07.043
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We consider a cutting of the molecular graph B of a Kekulean benzenoid molecule into two disconnected subgraphs, S and the other, by deleting from B certain edges. It is required that both subgraphs remain Kekulean. The edges involved in this cutting are classified as starred and unstarred. A starred edge is incident to a starred carbon site of the subgraph S, whereas an unstarred edge to an unstarred carbon site of S. The following regularity is established: for any above-described cutting of any Kekulean benzenoid system, the sum of the Pauling bond orders of the starred edges is equal to that for the unstarred edges. (C) 2004 Elsevier B.V. All fights reserved.
引用
收藏
页码:181 / 183
页数:3
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