European Journal of Chemistry 2011, 2(1), 70-76. doi:10.5155/eurjchem.2.1.70-76.286

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


Velu Arjunan (1,*) , Thiruvengadam Rani (2) , Chithathoor Venugopal Mythili (3) , Sriramulu Mohan (4)

(1) Department of Chemistry, Kanchi Mamunivar Centre for Post-Graduate Studies, Puducherry, IN-605008, India
(2) Centre for Research and Development, PRIST University, Thanjavur, IN-613403, India
(3) Department of Chemistry, Rani Anna Government College for Women, Tirunelveli, IN-627008, India
(4) Department of Mathematical and Physical Sciences, Hawasa University, Hawasa, Ethiopia
(*) Corresponding Author

Received: 20 Sep 2010, Accepted: 26 Jan 2011, Published: 28 Mar 2011

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.

2_1_70_76_800


Keywords


FT-IR; FT-Raman; N-(3-methylphenyl)-2,2-dichloroacetamide; DFT; Ab initio; Synthesis

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DOI: 10.5155/eurjchem.2.1.70-76.286

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How to cite


Arjunan, V.; Rani, T.; Mythili, C.; Mohan, S. Eur. J. Chem. 2011, 2(1), 70-76. doi:10.5155/eurjchem.2.1.70-76.286
Arjunan, V.; Rani, T.; Mythili, C.; Mohan, S. Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide. Eur. J. Chem. 2011, 2(1), 70-76. doi:10.5155/eurjchem.2.1.70-76.286
Arjunan, V., Rani, T., Mythili, C., & Mohan, S. (2011). Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide. European Journal of Chemistry, 2(1), 70-76. doi:10.5155/eurjchem.2.1.70-76.286
Arjunan, Velu, Thiruvengadam Rani, Chithathoor Venugopal Mythili, & Sriramulu Mohan. "Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide." European Journal of Chemistry [Online], 2.1 (2011): 70-76. Web. 15 Nov. 2019
Arjunan, Velu, Rani, Thiruvengadam, Mythili, Chithathoor, AND Mohan, Sriramulu. "Synthesis, FT-IR, FT-Raman and quantum chemical investigations of N-(3-methylphenyl)-2,2-dichloroacetamide" European Journal of Chemistry [Online], Volume 2 Number 1 (28 March 2011)

DOI Link: https://doi.org/10.5155/eurjchem.2.1.70-76.286

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