Conformational properties and spectroscopic characterization of m-chlorosulfinylaniline

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• 作者：Doly M. Chemes^a ; Diego J. Alonso de Armiñ ; o^a ; Edgardo H. Cutin^b ; Norma L. Robles^b ; ^{nrobles@herrera.unt.edu.ar}
• 关键词：m-Chlorosulfinylamine ; Vibrational spectroscopy ; Quantum chemical calculations ; Conformational properties
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 March 2017
• 年：2017
• 卷：1132
• 期：Complete
• 页码：88-94
• 全文大小：656 K
• 卷排序：1132

文摘

A complete assignment of the FT-IR, Raman, NMR and GC/MS spectra was performed. Conformational properties confirm the trend observed for related compounds. Theoretical results are in good agreement with experimental data. The Cl substituent modifies the frequency of signals in the experimental spectra. Full vibrational assignment is performed and compared to similar molecules.