%0 Journal Article %1 WOS:000385901800050 %A Paiva, F M %A Batista, J C %A Rego, F S C %A Jr., J A Lima %A Freire, P T C %A Melo, F E A %A Filho, J Mendes %A de Menezes, A S %A Nogueira, C E S %C PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS %D 2017 %I ELSEVIER SCIENCE BV %J JOURNAL OF MOLECULAR STRUCTURE %K Crystal Infrared Racemic Vibrational acids} amino assignments; growth; spectroscopy; {Raman %P 419-426 %R 10.1016/j.molstruc.2016.07.067 %T Infrared and Raman spectroscopy and DFT calculations of DL amino acids: Valine and lysine hydrochloride %V 1127 %X 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.

@article{WOS:000385901800050, 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.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, author = {Paiva, F M and Batista, J C and Rego, F S C and Jr., J A Lima and Freire, P T C and Melo, F E A and Filho, J Mendes and de Menezes, A S and Nogueira, C E S}, biburl = {https://www.bibsonomy.org/bibtex/2c8786ff22886ac5542a1cbae218028a2/ppgfis_ufc_br}, doi = {10.1016/j.molstruc.2016.07.067}, interhash = {d31302d178f29cf42056f56209492650}, intrahash = {c8786ff22886ac5542a1cbae218028a2}, issn = {0022-2860}, journal = {JOURNAL OF MOLECULAR STRUCTURE}, keywords = {Crystal Infrared Racemic Vibrational acids} amino assignments; growth; spectroscopy; {Raman}, pages = {419-426}, publisher = {ELSEVIER SCIENCE BV}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Infrared and Raman spectroscopy and DFT calculations of DL amino acids: Valine and lysine hydrochloride}, tppubtype = {article}, volume = 1127, year = 2017 }