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 Citationer (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 ⁺.

Originalsprog	Engelsk
Tidsskrift	Journal of Raman Spectroscopy
Vol/bind	40
Udgave nummer	8
Sider (fra-til)	958-963
Antal sider	6
ISSN	0377-0486
DOI	https://doi.org/10.1002/jrs.2209
Status	Udgivet - 1 aug. 2009
Udgivet eksternt	Ja

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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",

author = "Gon{\c c}alves, {R. O.} and Freire, {P. T.C.} and Bordallo, {H. N.} and Lima, {J. A.} and Melo, {F. E.A.} and {Mendes Filho}, J. and Argyriou, {D. N.} and Lima, {R. J.C.}",

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language = "English",

volume = "40",

pages = "958--963",

journal = "Journal of Raman Spectroscopy",

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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

SN - 0377-0486

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

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