Enumeration of chemical isomers of polycyclic conjugated hydrocarbons with six-membered and five-membered rings

被引:9
作者
Brunvoll, J
Cyvin, BN
Cyvin, SJ
机构
[1] NORWEGIAN UNIV SCI & TECHNOL,DEPT PHYS CHEM,N-7034 TRONDHEIM,NORWAY
[2] UNIV BIELEFELD,DEPT MATH,D-4800 BIELEFELD,GERMANY
来源
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1996年 / 51卷 / 10-11期
关键词
D O I
10.1515/zna-1996-10-1103
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
Polygonal systems P consist of exclusively hexagons and pentagons. They correspond (as chemical graphs) to a certain class of polycyclic conjugated hydrocarbons. This class includes protofullerenes. General formulations for the maximum numbers of internal vertices for P systems with p less than or equal to 6 are derived; here p is the number of pentagons. The CnHs chemical formulas of P systems are studied with special emphasis on the semibuckminsterfullerene (C30H12), circum-semibuckminsterfullerene (C58H16) and corannulene (C20H10) isomers. Numbers of all CnHs isomers for P systems with r less than or equal to 6 are computed; here r is the total number of polygons.
引用
收藏
页码:1073 / 1078
页数:6
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