%0 Journal Article
%T Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide
%A Velu Arjunan
%A Thiruvengadam Rani
%A Chithathoor Venugopal Mythili
%A Sriramulu Mohan
%J European Journal of Chemistry
%D 2011
%I 
%R 10.5155/eurjchem.2.1.70-76.286
%X N-(3-methylphenyl)-2,2-dichloroacetamide of the configuration XyC6H5-y-NHCO-CHCl2 (where, X = CH3 and y =1) was synthesized and an extensive spectroscopic investigations have been carried out by recording the Fourier transform infrared (FT-IR) and FT-Raman spectra in an effort to provide the complete analysis of the fundamental modes of the compound. The ab initio and DFT studies were carried out with 6-311++G(d,p) and 6-31G(d,p) basis set to determine the structural, thermodynamical and vibrational characteristics of the compound. The steric influence of methyl group on the characteristic frequencies of amide (-CONH-) group has been analysed.
%K FT-IR
%K FT-Raman
%K N-(3-methylphenyl)-2
%K 2-dichloroacetamide
%K DFT
%K Ab initio
%K Synthesis
%U http://www.eurjchem.com/index.php/eurjchem/article/view/286