On some carbon clusters containing sp(2)- and sp(3)-hybridized atoms

被引:1
作者
Halpern, EG [1 ]
Pinyaskin, VV [1 ]
Stankevich, IV [1 ]
机构
[1] AN NESMEYANOV ORGANOELEMENT CPDS INST,MOSCOW 117813,RUSSIA
关键词
fullerenes; carbon clusters; quantum-chemical methods; MNDO; MNDO-PM3;
D O I
10.1007/BF01435772
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A new class of thread-like carbon clusters consisting of dodecahedra and containing sp(2)- and sp(3)-hybridized atoms is described. Molecular and electronic structures of the simplest representative of this class (the C-102 cluster) and of the polyhedral C90H12 hydrocarbon molecule, whose carbon framework is identical to the toroidal fragment of the C-102 cluster, have been calculated by the MNDO and MNDO-PM3 methods.
引用
收藏
页码:511 / 513
页数:3
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