POSSIBLE SYMMETRIES OF FULLERENE STRUCTURES

被引:69
作者
FOWLER, PW
MANOLOPOULOS, DE
REDMOND, DB
RYAN, RP
机构
[1] UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND
[2] ST PATRICKS COLL,DEPT MATH,MAYNOOTH,KILDARE,IRELAND
[3] ST PATRICKS COLL,DEPT CHEM,MAYNOOTH,KILDARE,IRELAND
关键词
D O I
10.1016/0009-2614(93)90055-6
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
Fullerene polyhedra are realisable within exactly 28 point groups: I(h), I, T(d), T(h), T, D(nh), D(nd), D(n) (n = 2, 3, 5, 6), S2m, C(mh), C(mv), C(m) (m=2, 3), C(s), C(i), C(l). Examples of each group can be found within the range C20 to C140, and isolated-pentagon fullerenes can be constructed for all 28 groups. The presence of a fivefold axis implies icosahedral or dihedral symmetry, and a sixfold axis implies dihedral symmetry. For groups with these axes of high order, the ring spiral algorithm is shown to be complete. It is shown that the NMR spectrum of any single fullerene isomer can contain peaks of at most three different intensities. Classification of the 1812 hypothetical C60 fullerene isomers illustrates the overwhelming likelihood that a randomly constructed fullerene cage will be totally asymmetric.
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页码:371 / 378
页数:8
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