Partitioning of π-electrons in rings of polycyclic benzenoid hydrocarbons.: 2.: Catacondensed coronoids

被引:88
作者
Balaban, AT [1 ]
Randic, M [1 ]
机构
[1] Texas A&M Univ, Galveston, TX 77551 USA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2004年 / 44卷 / 01期
关键词
D O I
10.1021/ci034164l
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Various types of coronoids are examined for finding the partitioning of pi-electrons in individual benzenoid rings of polycyclic aromatic hydrocarbons. A class of catacondensed coronoids, namely fibonacenes, has four it-electrons in every ring. Most other catacondensed coronoids have more than one type of benzenoid ring, each type with a different partition, but the average per ring is always four pi-electrons. For the class of catacondensed coronoids that have an acenic hole, simple quadratic equations in terms of their number R of rings exist for the partitions of pi-electrons in the three possible ring types.
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页码:50 / 59
页数:10
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