Asymmetric top rotors in electric fields. II. Influence of internal torsions in molecular beam deflection experiments

被引：12

作者：

Antoine, R. ^{[1
]}

El Rahim, M. Abd ^{[1
]}

Broyer, M. ^{[1
]}

Rayane, D. ^{[1
]}

Dugourd, Ph. ^{[1
]}

机构：

[1] Univ Lyon 1, Spectrometrie Ion & Mol Lab, UMR 5579, F-69622 Villeurbanne, France

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2006年 / 110卷 / 33期

关键词：

D O I：

10.1021/jp0614345

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 report on electric deflection experiments of aminobenzonitrile and ( dimethylamino) benzonitrile molecules. They are used as prototypes to study the influence of the asymmetry and rotation-vibration couplings in deflection experiments. Experimental deflection profiles are compared to results of ab initio calculations in the frame of the rigid rotor Stark effect and of the statistical linear response. The change in symmetry and the introduction of methyl groups lead to a transition from the rigid rotor response to the linear response. From the experimental results, a total dipole of mu = 6.2 +/- 0.6 D has been deduced for the m-(dimethylamino)-benzonitrile molecule (MDMABN).

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页码：10006 / 10011

页数：6

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