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Infrared and Raman spectroscopy and DFT calculations of DL amino acids: Valine and lysine hydrochloride

, , , , , , , , and . JOURNAL OF MOLECULAR STRUCTURE, (2017)
DOI: 10.1016/j.molstruc.2016.07.067

Abstract

Single crystals of DL-valine and DL-lysine hydrochloride were grown by slow evaporation method and the crystallographic structure were confirmed by X-ray diffraction experiment and Rietveld method. These two crystals have been studied by Raman spectroscopy in the 25-3600 cm(-1) spectral range and by infrared spectroscopy through the interval 375-4000 cm(-1) at room temperature. Experimental and theoretical vibrational spectra were compared and a complete analysis of the modes was done in terms of the Potential Energy Distribution (PED). (C) 2016 Published by Elsevier B.V.

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