Long-lived high-spin sextet states of N2-

被引:12
作者
Dreuw, A [1 ]
Cederbaum, LS [1 ]
机构
[1] Univ Heidelberg, Inst Chem Phys, D-69120 Heidelberg, Germany
关键词
long-lived anions; ab initio calculations; nitrogen; sextet states;
D O I
10.1016/S1387-3806(99)00039-1
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Motivated by recent mass spectrometric observations of N-2(-), we have examined several high-spin sextet states of this fundamental ion. Following a general construction principle for long-lived electronic states of small molecules, we have found a long-lived (6)Sigma(u)(+) state of N-2(-) that is stable with respect to direct single electron loss, as well as with respect to dissociation. All possible decay channels are spin forbidden and, therefore, this (6)Sigma(u)(+) State is long-lived and observable in a mass spectrometer. Comparison is made with CO- and general aspects of long-lived high-spin states of anions are stressed. (C) 1999 Elsevier Science B.V.
引用
收藏
页码:199 / 204
页数:6
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