AB-INITIO INVESTIGATION OF THE HYPERFINE-STRUCTURE IN THE 1(2)SIGMA(+) (1(2)A') AND 1(2)PI (1(2)A'', 2(2)A') SYSTEMS OF THE FCO RADICAL

被引：4

作者：

STAIKOVA, M ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

ZULICKE, L ^{[1
]}

机构：

[1] UNIV POTSDAM,LEHRSTUHL THEORET CHEM,FACHBEREICH CHEM,D-14469 POTSDAM,GERMANY

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1995年 / 170卷 / 02期

关键词：

D O I：

10.1006/jmsp.1995.1077

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：

Results of an ab initio MRD-CI study of the hyperfine structure of the 1(2) A' (1(2) Sigma(+)) and the 1(2) A'' and 2(2)A' (1(2) Pi) systems of the fluoroformyl radical are presented. The values of the hyperfine coupling constants (hbcc's) for the ground state averaged over the three (uncoupled) vibrational modes are calculated. The interaction between the two A' states has a strong influence on the isotropic hfcc's in the vicinity of a linear nuclear arrangement, and the values for the hfcc's in this area based on the two electronic wavefunctions are predicted. (C) 1995 Academic Press, Inc.

引用

页码：356 / 371

页数：16

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