Abstract

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

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.

IR; Raman studies; HF; DFT calculations; sulfonate

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