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

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dc.contributor.author De Souza, JM
dc.contributor.author De Souza, JM
dc.contributor.author Freire, PTC
dc.contributor.author Argyriou, DN
dc.contributor.author Stride, JA
dc.contributor.author Barthès, M
dc.contributor.author Barthès, M
dc.contributor.author Kalceff, W
dc.contributor.author Bordallo, HN
dc.date.accessioned 2010-05-28T09:43:16Z
dc.date.issued 2009-12-21
dc.identifier.citation ChemPhysChem, 2009, 10 (18), pp. 3337 - 3343
dc.identifier.citation ChemPhysChem, 2009, 10 (18), pp. 3337 - 3343
dc.identifier.issn 1439-4235
dc.identifier.other C1 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 C 2H 4(ND 2)CO 2D are discussed in relation to the doubling of the lattice parameter a observed by means of neutron powder diffraction in C 2D 4 (NH 2)CO 2H. The major changes accompanying the phase transition are found in the vibrational frequencies involving the torsional vibration τ(CO 2-), 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(ND 3), confirming some orientational disorder. © 2009 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.
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 C 2H 4(ND 2)CO 2D are discussed in relation to the doubling of the lattice parameter a observed by means of neutron powder diffraction in C 2D 4 (NH 2)CO 2H. The major changes accompanying the phase transition are found in the vibrational frequencies involving the torsional vibration τ(CO 2-), 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(ND 3), confirming some orientational disorder. © 2009 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.
dc.language eng
dc.language eng
dc.relation.isbasedon 10.1002/cphc.200900482
dc.title Raman and neutron scattering study of partially deuterated l-alanine: Evidence of a solid-solid phase transition
dc.title Raman and neutron scattering study of partially deuterated l-alanine: Evidence of a solid-solid phase transition
dc.type Journal Article
dc.description.version Published
dc.parent ChemPhysChem
dc.parent ChemPhysChem
dc.journal.volume 18
dc.journal.volume 10
dc.journal.number 18 en_US
dc.publocation Weinheim en_US
dc.identifier.startpage 3337 en_US
dc.identifier.endpage 3343 en_US
dc.cauo.name SCI.Faculty of Science en_US
dc.conference Verified OK en_US
dc.for 030606 Structural Chemistry and Spectroscopy
dc.personcode 800088
dc.percentage 100 en_US
dc.classification.name Structural Chemistry and Spectroscopy en_US
dc.classification.type FOR-08 en_US
dc.edition en_US
dc.custom en_US
dc.date.activity en_US
dc.location.activity ISI:000273410600027 en_US
dc.description.keywords Amino acids
dc.description.keywords Amino acids
dc.description.keywords Hydrogen bonds
dc.description.keywords Hydrogen bonds
dc.description.keywords Neutron scattering
dc.description.keywords Neutron scattering
dc.description.keywords Raman spectroscopy
dc.description.keywords Raman spectroscopy
dc.description.keywords Selective deuteration
dc.description.keywords Selective deuteration
pubs.embargo.period Not known
pubs.organisational-group /University of Technology Sydney
pubs.organisational-group /University of Technology Sydney/Faculty of Science
utslib.copyright.status Closed Access
utslib.copyright.date 2015-04-15 12:17:09.805752+10
pubs.consider-herdc true
utslib.collection.history Closed (ID: 3)
utslib.collection.history School of Physics and Advanced Materials (ID: 343)


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