ENUMERATION OF CHIRAL AND POSITIONAL ISOMERS OF SUBSTITUTED FULLERENE CAGES (C20-C70)

被引:63
作者
BALASUBRAMANIAN, K
机构
[1] Department of Chemistry and Biochemistry, Arizona State University, Tempe
关键词
D O I
10.1021/j100129a013
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
Enumeration of chiral isomers of substituted fullerene cages (C20-C70) is considered using the generalized character cycle index (GCCI) of the alternating representation of the point group of the parent cage. It is shown that there are no chiral isomers for the monosubstituted C20, C24, C28, C30, C36, and C60 fullerene cages but there are chiral isomers for other monosubstituted cages. All cages considered here possess chiral isomers for disubstituted cages. It is shown that the number of positional isomers can be obtained using the GCCI of the totally symmetric representation. We also enumerate the C-13 NMR signals of all fullerene cages C20-C70.
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页码:6990 / 6998
页数:9
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