Vibrational spectra of vinylarsine and vinylstibine.: An experimental and theoretical study

被引：6

作者：

Benidar, A

Le Doucen, R

Guillemin, JC

Mó, O

Yáñez, M

机构：

[1] Univ Rennes 1, CNRS, UMR 6627, Lab PALMS,Equipe Spectroscopie Infrarouge, F-35042 Rennes, France

[2] Univ Autonoma Madrid, Dept Quim, Madrid 28049, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2002年 / 106卷 / 26期

关键词：

D O I：

10.1021/jp0145558

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：

The infrared spectra (3200 to 600 cm(-1)) of gaseous vinylarsine and vinylstibine and their As-dideuterated and Sb-dideuterated derivative were recorded at 1 cm(-1) resolution. Both the infrared absorption bands of the syn and gauche conformers of the vinylarsine and vinylstibine were observed and assigned. The integrated intensities of isolated and overlapping vibrational bands were determined experimentally. Density functional theory calculations at the B3LYP/6-311G(d) level were performed to obtain the values of the harmonic vibrational frequencies. The results obtained are in good agreement with the experimental spectra and help in the assignment of the vibrational bands within the complex absorption region between 1100 and 600 cm(-1).

引用

收藏

页码：6262 / 6270

页数：9

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