European Journal of Chemistry

Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide

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Published: Mar 28, 2011
DOI: https://doi.org/10.5155/eurjchem.2.1.70-76.286
Keywords:
FT-IR, FT-Raman, N-(3-methylphenyl)-2, 2-dichloroacetamide, DFT, Ab initio, Synthesis
Section
Research Article
Issue
Vol. 2 No. 1 (2011): March 2011
Dates
Received 2010-09-20
Accepted 2011-01-26
Published 2011-03-28


Main Article Content

Velu Arjunan
Department of Chemistry, Kanchi Mamunivar Centre for Post-Graduate Studies, Puducherry, IN-605008, India
Thiruvengadam Rani
Centre for Research and Development, PRIST University, Thanjavur, IN-613403, India
Chithathoor Venugopal Mythili
Department of Chemistry, Rani Anna Government College for Women, Tirunelveli, IN-627008, India
Sriramulu Mohan
Department of Mathematical and Physical Sciences, Hawasa University, Hawasa, Ethiopia

Abstract

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.

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How to Cite
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Arjunan, V.; Rani, T.; Mythili, C. V.; Mohan, S. Synthesis, FT-IR, FT-Raman and Quantum Chemical Investigations of N-(3-Methylphenyl)-2,2-Dichloroacetamide. Eur. J. Chem. 2011, 2, 70-76.

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Author Biography

Chithathoor Venugopal Mythili, Department of Chemistry, Rani Anna Government College for Women, Tirunelveli, IN-627008, India


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