%0 Journal Article %1 WOS:000365059700007 %A Saraiva, G D %A Nogueira, C E S %A Freire, P T C %A de Sousa, F F %A da Silva, J H %A Teixeira, A M R %A Filho, J Mendes %C THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND %D 2015 %I PERGAMON-ELSEVIER SCIENCE LTD %J SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY %K Phase Sorbic Temperature; acid; spectroscopy; transition} {Raman %P 1409-1416 %R 10.1016/j.saa.2014.08.142 %T Temperature-dependent vibrational spectroscopic study and DFT calculations of the sorbic acid %V 137 %X This work reports a temperature-dependent vibrational spectroscopic study of the sorbic acid (C6H8O2), as well as the mode assignment at ambient conditions, based on the density functional theory. Temperature-dependent vibrational properties have been performed in polycrystalline sorbic acid through both Raman and infrared spectroscopy in the 20-300 K and 80-300 K temperature ranges, respectively. These studies present the occurrence of some modifications in the Raman spectra that could be interpreted as a low temperature phase transition undergone by sorbic acid from the monoclinic phase to an unknown phase with conformational change of the molecules in the unit cell. (C) 2014 Elsevier B.V. All rights reserved.

@article{WOS:000365059700007, abstract = {This work reports a temperature-dependent vibrational spectroscopic study of the sorbic acid (C6H8O2), as well as the mode assignment at ambient conditions, based on the density functional theory. Temperature-dependent vibrational properties have been performed in polycrystalline sorbic acid through both Raman and infrared spectroscopy in the 20-300 K and 80-300 K temperature ranges, respectively. These studies present the occurrence of some modifications in the Raman spectra that could be interpreted as a low temperature phase transition undergone by sorbic acid from the monoclinic phase to an unknown phase with conformational change of the molecules in the unit cell. (C) 2014 Elsevier B.V. All rights reserved.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, author = {Saraiva, G D and Nogueira, C E S and Freire, P T C and de Sousa, F F and da Silva, J H and Teixeira, A M R and Filho, J Mendes}, biburl = {https://www.bibsonomy.org/bibtex/293fd304058ee4b5553943d47ffc68589/ppgfis_ufc_br}, doi = {10.1016/j.saa.2014.08.142}, interhash = {21a251d9da9cfc439942dceffd32384b}, intrahash = {93fd304058ee4b5553943d47ffc68589}, issn = {1386-1425}, journal = {SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY}, keywords = {Phase Sorbic Temperature; acid; spectroscopy; transition} {Raman}, pages = {1409-1416}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Temperature-dependent vibrational spectroscopic study and DFT calculations of the sorbic acid}, tppubtype = {article}, volume = 137, year = 2015 }