(searched for: (10.5155/eurjchem.2.1.70-76.286))
European Journal of Chemistry, Volume 2; doi:10.5155/eurjchem.2.1.70-76.286
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.