High-pressure Raman spectra of deuterated L-alanine crystal

R. O. Gonçalves; P. T.C. Freire; H. N. Bordallo; J. A. Lima; F. E.A. Melo; J. Mendes Filho; D. N. Argyriou; R. J.C. Lima

doi:10.1002/jrs.2209

High-pressure Raman spectra of deuterated L-alanine crystal

R. O. Gonçalves, P. T.C. Freire, H. N. Bordallo, J. A. Lima, F. E.A. Melo, J. Mendes Filho, D. N. Argyriou, R. J.C. Lima

24 Citations (Scopus)

Abstract

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 ⁺.

Original language	English
Journal	Journal of Raman Spectroscopy
Volume	40
Issue number	8
Pages (from-to)	958-963
Number of pages	6
ISSN	0377-0486
DOIs	https://doi.org/10.1002/jrs.2209
Publication status	Published - 1 Aug 2009
Externally published	Yes

Keywords

Deuterated crystal
High pressure
Phase transition

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10.1002/jrs.2209

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title = "High-pressure Raman spectra of deuterated L-alanine crystal",

abstract = "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 +.",

keywords = "Deuterated crystal, High pressure, Phase transition",

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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

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DO - 10.1002/jrs.2209

M3 - Journal article

AN - SCOPUS:69949168876

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VL - 40

SP - 958

EP - 963

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

IS - 8

ER -

High-pressure Raman spectra of deuterated L-alanine crystal

Abstract

Keywords

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