NOMENCLATURE AND CODING OF FULLERENES

被引:15
作者
BABIC, D
BALABAN, AT
KLEIN, DJ
机构
[1] TEXAS A&M UNIV, GALVESTON, TX 77553 USA
[2] POLYTECH UNIV, DEPT ORGAN CHEM, BUCHAREST, ROMANIA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1995年 / 35卷 / 03期
关键词
D O I
10.1021/ci00025a020
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
An algorithm for deriving IUPAC names of fullerenes is described. Several possible ways for coding of fullerenes are also discussed: the known spiral ring code and its modified version, the Weinberg code, the code derived from the Eulerian trail, the code derived from the Brugesser-Mani theorem, two others based on a Hamiltonian cycle and a Hamiltonian path, and the code based on a path-cotree. A special nomenclature for fullerenes and their derivatives is under consideration in CAS and IUPAC bodies, based upon a spiral passing through all atoms in a molecule. Some isomers relevant for this scheme are pointed out: two highly symmetric isomers with no such spiral and one isomer with such a spiral in only one direction.
引用
收藏
页码:515 / 526
页数:12
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