Raman and neutron scattering study of partially deuterated l-alanine: Evidence of a solid-solid phase transition
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Raman and neutron scattering study of partially deuterated l-alanine : Evidence of a solid-solid phase transition. / De Souza, Joelma M.; Freire, Paulo T.C.; Argyriou, Dimitri N.; Stride, John A.; Barthès, Mariette; Kalceff, Walter; Bordallo, Heloisa N.
I: ChemPhysChem, Bind 10, Nr. 18, 21.12.2009, s. 3337-3343.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Raman and neutron scattering study of partially deuterated l-alanine
T2 - Evidence of a solid-solid phase transition
AU - De Souza, Joelma M.
AU - Freire, Paulo T.C.
AU - Argyriou, Dimitri N.
AU - Stride, John A.
AU - Barthès, Mariette
AU - Kalceff, Walter
AU - Bordallo, Heloisa N.
PY - 2009/12/21
Y1 - 2009/12/21
N2 - 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.
AB - 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.
KW - Amino acids
KW - Hydrogen bonds
KW - Neutron scattering
KW - Raman spectroscopy
KW - Selective deuteration
UR - http://www.scopus.com/inward/record.url?scp=77449099190&partnerID=8YFLogxK
U2 - 10.1002/cphc.200900482
DO - 10.1002/cphc.200900482
M3 - Journal article
C2 - 19937663
AN - SCOPUS:77449099190
VL - 10
SP - 3337
EP - 3343
JO - ChemPhysChem
JF - ChemPhysChem
SN - 1439-4235
IS - 18
ER -
ID: 199168363