The equilibrium structures of linear carbon clusters of type C2n+l (n=1-4)

被引：13

作者：

Botschwina, P ^{[1
]}

机构：

[1] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 2000年 / 104卷 / 02期

关键词：

linear carbon clusters; equilibrium structures;

D O I：

10.1007/s002149900116

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：

On the basis of large-scale coupled-cluster calculations including connected triple substitutions accurate equilibrium structures have been established for the linear carbon chain molecules with an odd number of carbon atoms up to C-9. The individual equilibrium bond lengths are indicative of strong double bonds in all cases.

引用

页码：160 / 162

页数：3

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