Vibrational studies of sulfamoil chloride (ClSO2NH2)

被引：13

作者：

Alverez, RMS

Cutin, EH

Mack, HG

Della Vedova, CO

机构：

[1] Natl Univ La Plata, Fac Ciencias Exactas, CONICET, CEQUINOR, RA-1900 La Plata, Argentina

[2] Natl Univ La Plata, Fac Ciencias Exactas, CONICET, Lab Serv Ind & Sistema Cient,CIC,Dept Quim, RA-1900 La Plata, Argentina

[3] Univ Nacl Tucuman, Fac Bioquim Quim & Farm, Inst Quim Fis, RA-4000 Tucuman, Argentina

[4] Inst Theoret & Phys Chem, D-72076 Tubingen, Germany

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1998年 / 440卷 / 1-3期

关键词：

vibrational spectroscopy; normal coordinate analysis; ab initio calculations; density functional theory; surfamoil chloride;

D O I：

10.1016/S0022-2860(97)00260-3

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 spectrum of sulfamoil chloride in the liquid phase was reinvestigated; the infrared and Raman spectra of the solid phase have also been obtained. A complete assignment of the observed bands is proposed. A subsequent normal coordinate analysis was performed. The experimental data are compared to results of ab initio and DFT (density functional theory) calculations. According to the experimental and theoretical results the main conformer of ClSO2NH2 possesses an anti conformation (C-S symmetry, S-Cl single bond in anti position with respect to the nitrogen lone pair). (C) 1998 Elsevier Science B.V.

引用

页码：213 / 219

页数：7

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