C60 topological isomers:: Other carbon allotropes

被引：14

作者：

Dobrowolski, JC

Mazurek, AP

机构：

[1] Ind Chem Res Inst, PL-01793 Warsaw, Poland

[2] Drug Inst, PL-00725 Warsaw, Poland

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 1998年 / 102卷 / 27期

关键词：

D O I：

10.1021/jp980277+

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：

The structure and stability of nonlinear carbyne carbon clusters was estimated on the basis of ab initio quantum mechanical calculations. The catenane (catecarbynes), cyclic (cycarbynes), and knotted (knocarbynes) structures of closed polycarbon chains containing 60 carbon atoms are described. Comparison of the calculated C-13 NMR spectra with that of C-60 fullerene provides a basis for experimental identification of C-60 topological isomers in the mixture.

引用

页码：5260 / 5262

页数：3

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