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oai:ojs.www.eurjchem.com:article/286 2011-04-06T06:06:57Z eurjchem:ART driver

Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide Arjunan, Velu Rani, Thiruvengadam Mythili, Chithathoor Venugopal Mohan, Sriramulu FT-IR FT-Raman N-(3-methylphenyl)-2 2-dichloroacetamide DFT Ab initio Synthesis 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. Atlanta Publishing House LLC 2011-03-28 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://www.eurjchem.com/index.php/eurjchem/article/view/286 10.5155/eurjchem.2.1.70-76.286 European Journal of Chemistry; Vol. 2 No. 1 (2011): March 2011; 70-76 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/286/PDF