RATIONALIZATION OF THE MOST STABLE ISOMER OF A FULLERENE-CN

被引:66
作者
TAYLOR, R
机构
来源
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1992年 / 01期
关键词
D O I
10.1039/p29920000003
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
It is proposed that if each isomeric carbon cage for a given fullerene C(n) is constructed such that no five-membered ring contains a double bond, then the most stable isomer is that containing the highest number of benzenoid rings (i.e. those with alternating double and single bonds). Fullerenes in which a high proportion of the hexagonal rings are benzenoid are very stable, e.g. C60, C70, C78, C84 and C90; the method correctly predicts the most stable isomer of C76.
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页码:3 / 4
页数:2
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