ANIONIC STATES OF LIFLI

被引：33

作者：

GUTOWSKI, M

SIMONS, J

机构：

[1] Chemistry Department, University of Utah, Salt Lake City

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 02期

关键词：

D O I：

10.1063/1.466660

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：

Our ab initio theoretical calculations indicate that the LiFLi- anion possesses two bound states which are of (1) Sigma(g)(+) and (3) Sigma(u)(+) symmetry and which have vertical detachment energies of 0.94 and 0.89 eV, respectively. The LiFLi+ cation and the first four electronic states of the neutral LiFLi were also considered. The Renner-Teller splitting for the excited (2) Pi(u) state of the neutral is reported. The neutral and both ions are thermodynamically stable.

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页码：1308 / 1311

页数：4

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