IR, Raman and Computational Study of Lithium Trifluoromethanesulfonate

P. Geetha; M. Nair; C.Y. Panicker; H.T.Varghese; Sheena Mary Y.; K. Raju

Article | Open Access

IR, Raman and Computational Study of Lithium Trifluoromethanesulfonate

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