%0 Journal Article %1 WOS:000356553000031 %A Silva, J G %A Arruda, L M %A Pinheiro, G S %A Lima, C L %A Melo, F E A %A Ayala, A P %A Filho, J Mendes %A Freire, P T C %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 Infrared Peptide; Phase spectroscopy; transition} {Raman %P 244-249 %R 10.1016/j.saa.2015.04.010 %T The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine %V 148 %X A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80 K and 60K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C-1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C-2 symmetry at low temperatures. (C) 2015 Elsevier B.V. All rights reserved.

@article{WOS:000356553000031, abstract = {A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80 K and 60K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C-1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C-2 symmetry at low temperatures. (C) 2015 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 = {Silva, J G and Arruda, L M and Pinheiro, G S and Lima, C L and Melo, F E A and Ayala, A P and Filho, J Mendes and Freire, P T C}, biburl = {https://www.bibsonomy.org/bibtex/23575fd59942261435d2cfbf3fc7a537a/ppgfis_ufc_br}, doi = {10.1016/j.saa.2015.04.010}, interhash = {10fcfbcef08a730d4b1d3adc378be81f}, intrahash = {3575fd59942261435d2cfbf3fc7a537a}, issn = {1386-1425}, journal = {SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY}, keywords = {Infrared Peptide; Phase spectroscopy; transition} {Raman}, pages = {244-249}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine}, tppubtype = {article}, volume = 148, year = 2015 }