ISSN : 0970 - 020X, ONLINE ISSN : 2231-5039
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IR, Raman and Computational Study of Lithium Trifluoromethanesulfonate

Volume 26, Number 1

P. Geetha1, M. Nair2, C.Y. Panicker3*, H.T.Varghese4, Sheena Mary Y.2, K. Raju2 And P.S. Amala Devi5

1Department of Physics, Government Arts and Science College, Calicut (India). 2Department of Physics, Univeristy College, Thiruvananthapuram (India). 3Department of Physics, TKM College of Arts and Science, Kollam - 691 005 (India). 4Department of Physics, Fatima Mata National College, Kollam - 691 001 (India). 5Department of Physics, S.N.College, Chempazhanthy, Thiruvananthapuram (India).

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ABSTRACT:

The vibrational waves of Lithium trifluoromethanesulfonate were calculated using Gaussian03 software package at different levels and the fundamental modes are assigned. The predicted infrared intensities, Raman activities and first hyperpolarizability are reported. The calculated wavenumbers and geometrical parameters are in agreement with the reported experimental values.

KEYWORDS:

IR; Raman studies; HF; DFT calculations; sulfonate

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Geetha P, Nair M, Panicker C. Y, Varghese H. T, Mary Y. S, Raju K, Devi P. S. A. IR, Raman and Computational Study of Lithium Trifluoromethanesulfonate. Orient J Chem 2010;26(1).

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Geetha P, Nair M, Panicker C. Y, Varghese H. T, Mary Y. S, Raju K, Devi P. S. A. IR, Raman and Computational Study of Lithium Trifluoromethanesulfonate. Orient J Chem 2010;26(1). Available from: http://www.orientjchem.org/?p=23562

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