Raman and neutron scattering study of partially deuterated l-alanine: Evidence of a solid-solid phase transition

De Souza, JM; Freire, PTC; Argyriou, DN; Stride, JA; Barthès, M; Kalceff, W; Bordallo, HN

Raman and neutron scattering study of partially deuterated l-alanine: Evidence of a solid-solid phase transition

De Souza, JM Freire, PTC Argyriou, DN Stride, JA Barthès, M Kalceff, W Bordallo, HN

Permalink

Publication Type:: Journal Article
Citation:: ChemPhysChem, 2009, 10 (18), pp. 3337 - 3343
Issue Date:: 2009-12-21

Closed Access

	Filename	Description	Size
	2009002383OK.pdf		448.83 kB	Adobe PDF	View/Open

Copyright Clearance Process

Recently Added
In Progress
Closed Access

This item is closed access and not available.

Full metadata record

Field	Value	Language
dc.contributor.author	De Souza, JM	en_US
dc.contributor.author	Freire, PTC	en_US
dc.contributor.author	Argyriou, DN	en_US
dc.contributor.author	Stride, JA	en_US
dc.contributor.author	Barthès, M	en_US
dc.contributor.author	Kalceff, W	en_US
dc.contributor.author	Bordallo, HN	en_US
dc.date.issued	2009-12-21	en_US
dc.identifier.citation	ChemPhysChem, 2009, 10 (18), pp. 3337 - 3343	en_US
dc.identifier.issn	1439-4235	en_US
dc.identifier.uri	http://hdl.handle.net/10453/8445
dc.description.abstract	Raman and neutron experiments using specific isotope labeling were combined in order to study the dynamics and structure of l-alanine. Inelastic neutron and Raman scattering data of C2H4(ND2)CO 2D are discussed in relation to the doubling of the lattice parameter a observed by means of neutron powder diffraction in C2D4 (NH2)CO2H. The major changes accompanying the phase transition are found in the vibrational frequencies involving the torsional vibration τ(CO2-), which is clearly affected by the hydrogen bonds between the protons of the ammonium group and the oxygen atoms of the carboxylate group. At lower temperatures the rearrangement of identifiable hydrogen bonds induces changes in the bending vibration δ(ND3), confirming some orientational disorder. © 2009 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.	en_US
dc.relation.ispartof	ChemPhysChem	en_US
dc.relation.isbasedon	10.1002/cphc.200900482	en_US
dc.subject.classification	Chemical Physics	en_US
dc.subject.mesh	Alanine	en_US
dc.subject.mesh	Neutron Diffraction	en_US
dc.subject.mesh	Spectrum Analysis, Raman	en_US
dc.subject.mesh	Temperature	en_US
dc.subject.mesh	Hydrogenation	en_US
dc.subject.mesh	Phase Transition	en_US
dc.title	Raman and neutron scattering study of partially deuterated l-alanine: Evidence of a solid-solid phase transition	en_US
dc.type	Journal Article
utslib.citation.volume	18	en_US
utslib.citation.volume	10	en_US
utslib.for	030606 Structural Chemistry and Spectroscopy	en_US
utslib.for	0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics	en_US
utslib.for	0306 Physical Chemistry (incl. Structural)	en_US
utslib.for	0307 Theoretical and Computational Chemistry	en_US
dc.location.activity	ISI:000273410600027	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	closed_access
pubs.issue	18	en_US
pubs.publication-status	Published	en_US
pubs.volume	10	en_US

Abstract:

Raman and neutron experiments using specific isotope labeling were combined in order to study the dynamics and structure of l-alanine. Inelastic neutron and Raman scattering data of C2H4(ND2)CO 2D are discussed in relation to the doubling of the lattice parameter a observed by means of neutron powder diffraction in C2D4 (NH2)CO2H. The major changes accompanying the phase transition are found in the vibrational frequencies involving the torsional vibration τ(CO2-), which is clearly affected by the hydrogen bonds between the protons of the ammonium group and the oxygen atoms of the carboxylate group. At lower temperatures the rearrangement of identifiable hydrogen bonds induces changes in the bending vibration δ(ND3), confirming some orientational disorder. © 2009 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.

Please use this identifier to cite or link to this item:

http://hdl.handle.net/10453/8445