THE A ELECTRONIC STATE OF ACETYLENE - GEOMETRY AND AXIS-SWITCHING EFFECTS

被引:2663
作者
HUET, TR
GODEFROID, M
HERMAN, M
机构
[1] Laboratoire de Chimie Physique Moléculaire-C.P. 160, Université Libre de Bruxelles, 1050 Bruxelles
关键词
D O I
10.1016/0022-2852(90)90306-B
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
The geometrical parameters concerning acetylene in the A ̃ state are derived: rCC = 1.375 A ̊, rCH = 1.097 A ̊, and HCH = 122.48°. New rovibrational parameters of acetylene in the A ̃ state are provided or predicted. Axis-switching intensities are discussed on the basis of an extended formulation using the tensor algebra. © 1990.
引用
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页码:32 / 44
页数:13
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