On the additivity of bond dipole moments. Stark effect studies of the rotationally resolved electronic spectra of aniline, benzonitrile, and aminobenzonitrile

被引:64
作者
Borst, DR [1 ]
Korter, TM [1 ]
Pratt, DW [1 ]
机构
[1] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(01)01344-6
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
We study the influence of an applied electric field on the fully resolved electronic spectra of aniline (AN), benzonitrile (BN), and 4-aminobenzonitrile (ABN) in the gas phase. Using these data, we test the commonly held but rarely proven assumption that the total dipole moment of a polyatomic molecule is the vector sum of bond dipole moments, localized in different parts of the molecule. We find that mu(a) (ABN) approximate to mu(a) (AN) + mu(a) (BN) in the excited S-1 state, but not in the ground S-0 state. Possible reasons for this non-additivity are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:485 / 490
页数:6
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