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

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 350卷 / 5-6期

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

页码：485 / 490

页数：6

共 15 条

[1]

[Anonymous], 1955, RESONANCE ORGANIC CH

[2]

ATKINS PW, 1997, PHYSICAL CHEM, P651

[3] Rotationally resolved electronic spectroscopy of 4-aminobenzonitrile [J].