High-pressure Raman spectra of deuterated L-alanine crystal
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High-pressure Raman spectra of deuterated L-alanine crystal. / Gonçalves, R. O.; Freire, P. T.C.; Bordallo, H. N.; Lima, J. A.; Melo, F. E.A.; Mendes Filho, J.; Argyriou, D. N.; Lima, R. J.C.
In: Journal of Raman Spectroscopy, Vol. 40, No. 8, 01.08.2009, p. 958-963.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - High-pressure Raman spectra of deuterated L-alanine crystal
AU - Gonçalves, R. O.
AU - Freire, P. T.C.
AU - Bordallo, H. N.
AU - Lima, J. A.
AU - Melo, F. E.A.
AU - Mendes Filho, J.
AU - Argyriou, D. N.
AU - Lima, R. J.C.
PY - 2009/8/1
Y1 - 2009/8/1
N2 - Raman spectra of deuterated L-alanine have been obtained at high-pressure conditions. A phase transition at ~1.5 GPa associated with the splitting of some internal modes and increase of the wavenumber of the external modes was observed. Similarly to the hydrogenated L-alanine crystal, this first transition was related to a symmetry change. Moreover, further modifications of the Raman spectra were observed at 4.4 GPa, which may be associated to conformational changes of the molecule. To give further support to such a hypothesis,neutron powder diffraction measurements were performed. Information about the cell parameter at atmospheric pressure gave valuable information about the N-D distances, shedding light on the behavior of the torsional vibration of ND3 +.
AB - Raman spectra of deuterated L-alanine have been obtained at high-pressure conditions. A phase transition at ~1.5 GPa associated with the splitting of some internal modes and increase of the wavenumber of the external modes was observed. Similarly to the hydrogenated L-alanine crystal, this first transition was related to a symmetry change. Moreover, further modifications of the Raman spectra were observed at 4.4 GPa, which may be associated to conformational changes of the molecule. To give further support to such a hypothesis,neutron powder diffraction measurements were performed. Information about the cell parameter at atmospheric pressure gave valuable information about the N-D distances, shedding light on the behavior of the torsional vibration of ND3 +.
KW - Deuterated crystal
KW - High pressure
KW - Phase transition
UR - http://www.scopus.com/inward/record.url?scp=69949168876&partnerID=8YFLogxK
U2 - 10.1002/jrs.2209
DO - 10.1002/jrs.2209
M3 - Journal article
AN - SCOPUS:69949168876
VL - 40
SP - 958
EP - 963
JO - Journal of Raman Spectroscopy
JF - Journal of Raman Spectroscopy
SN - 0377-0486
IS - 8
ER -
ID: 203939819