THEORETICAL-STUDY OF THE BOUND ELECTRONIC STATES OF THE C2- NEGATIVE-ION

被引：51

作者：

ZEITZ, M ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

BUENKER, RJ ^{[1
]}

机构：

[1] GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 64卷 / 02期

关键词：

D O I：

10.1016/0009-2614(79)80505-9

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：

Configuration interaction calculation are employed to study the X 2Σ+g, A 2Πu, B 2Σ+u, 4Σ+u and 4Δu states of the C-2 ion. The results are in good quantitative agreement with experimental findings for the Herzberg-Lagerquist (2Σ+u-2Σ+ g) bands and predict a Te value for the 2Πu state of only 0.40 eV; corresponding transition moment results are obtained as a function of CC distance. The Cl electron affinity is 3.43 eV, in good agreement with the most recent experimental estimate for this quantity. © 1979.

引用

页码：243 / 249

页数：7

共 29 条

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