UPPER-BOUNDS FOR THE CLAR NUMBER OF A BENZENOID HYDROCARBON

被引:41
作者
HANSEN, P [1 ]
ZHENG, ML [1 ]
机构
[1] RUTGERS STATE UNIV,RUTCOR,NEW BRUNSWICK,NJ 08903
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1992年 / 88卷 / 12期
关键词
D O I
10.1039/ft9928801621
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
A method for computing various upper bounds for the Clar number (defined as the number of circles in a Clar formula) of a benzenoid hydrocarbon is given. Based on this method two particular upper bounds are presented. For various examples, one of these bounds is sharp. Heuristic use of the method to find the Clar number of a given benzenoid hydrocarbon is also illustrated.
引用
收藏
页码:1621 / 1625
页数:5
相关论文
共 15 条
[1]   NUMBER OF AROMATIC SEXTETS IN A BENZENOID HYDROCARBON [J].
AIHARA, J .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1976, 49 (05) :1429-1430
[2]  
[Anonymous], 1972, AROMATIC SEXTET
[3]  
[Anonymous], 1983, CHEM GRAPH THEORY
[4]  
[Anonymous], J SERB CHEM SOC
[5]   1-12-2-3-10-11-TRIBENZOPERYLENE [J].
CLAR, E ;
ZANDER, M .
JOURNAL OF THE CHEMICAL SOCIETY, 1958, (MAY) :1861-1865
[6]  
Cyvin S.J., 1988, LECT NOTES CHEM, V46, P142
[7]   GROUND STATES OF CONJUGATED MOLECULES .2. ALLOWANCE FOR MOLECULAR GEOMETRY [J].
DEWAR, MJS ;
GLEICHER, GJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (04) :685-&
[8]   GROUND STATES OF CONJUGATED MOLECULES .11. IMPROVED TREATMENT OF HYDROCARBONS [J].
DEWAR, MJS ;
DELLANO, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) :789-&
[9]  
Gutman I., 1989, INTRO THEORY BENZENO
[10]  
GUTMAN I, 1990, TOP CURR CHEM, V153