Conformational analysis, vibrational and NMR spectroscopic study of the methanesulfonamide-N, N′-1, 2-ethanediylbis

H Alyar, A Ünal, N Özbek, S Alyar, N Karacan

Index: Alyar, Hamit; Uenal, Arslan; Oezbek, Neslihan; Alyar, Saliha; Karacan, Nurcan Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2012 , vol. 91, p. 39 - 47

Full Text: HTML

Citation Number: 15

Abstract

A conformational analysis of the methanesulfonamide-N, N′-1, 2-ethanediylbis (msen) was performed by using vibrational and NMR spectroscopies as well as theoretical computations. The possible stable conformers of msen on its potential energy surface were investigated by semi-empirical PM5 method and appropriate structures were defined with B3LYP hybrid density functional theory (DFT) method along with the basis sets of different ...