Conformational Analysis of some N, N-diethyl-2-[(4′-substituted) phenylthio] acetamides

…, PR Olivato, J Zukerman-Schpector, M Dal Colle

文献索引：Vinhato, Elisangela; Olivato, Paulo R.; Zukerman-Schpector, Julio; Dal Colle, Maurizio Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2013 , vol. 115, p. 738 - 746

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被引用次数: 5

摘要

Abstract The conformational analysis of some N, N-diethyl-2 [(4′-substituted) phenylthio] acetamides bearing the substituents OMe 1, Me 2, H 3, Cl 4, Br 5 and NO 2 6, was performed by ν CO IR analysis, along with B3LYP/6-311++ G (d, p) and Polarisable Continuum Model (PCM) calculations, as well as NBO analysis for 1, 3, and 6 and X-ray diffraction for 4. The results of the calculations indicated the existence of two stable ...