THE GEOMETRIC AND ELECTRONIC-STRUCTURES OF C6H AND ITS IONS

被引：21

作者：

FEHER, M

MAIER, JP

机构：

[1] Institut für Physikalische Chemie, Universität Basel, CH-4056 Basel

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 227卷 / 4-5期

关键词：

D O I：

10.1016/0009-2614(94)00858-2

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 ground state equilibrium geometries of different isomers of C6H, C6H- and C6H+ have been calculated. C6H and C6H- are linear in their minimum energy forms. The cyclic singlet and the linear triplet of C6H+ are practically isoenergetic. Possibilities for the interpretation of a recent matrix isolation study on mass-selected carbon species were examined. The most likely interpretation for the observed band at 608 nm is that it is due to C6- rather than C6H.

引用

页码：371 / 376

页数：6

共 34 条

[1] STABLE AND METASTABLE PHOTOEXCITATIONS OF LINEAR C-6- - THEORETICAL-STUDY [J].