title: Raman and neutron scattering study of partially deuterated L-alanine: evidence of a solid-solid phase transition.
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(2)H(4)(ND(2))CO(2)D are discussed in relation to the doubling of the lattice parameter a observed by means of neutron powder diffraction in C(2)D(4) (NH(2))CO(2)H. The major changes accompanying the phase transition are found in the vibrational frequencies involving the torsional vibration tau(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 delta(ND(3)), confirming some orientational disorder.
authors: Departamento de Física, Universidade Federal do Ceará, C.P. 6030 60455-760 Fortaleza CE, Brazil.
authors: Joelma M
authors: JM
authors: de Souza
authors: Paulo T C
authors: PT
authors: Freire
authors: Dimitri N
authors: DN
authors: Argyriou
authors: John A
authors: JA
authors: Stride
authors: Mariette
authors: M
authors: Barthès
authors: Walter
authors: W
authors: Kalceff
authors: Heloisa N
authors: HN
authors: Bordallo
mesh_terms: D000409:Alanine / Q000737:chemistry*; D006865:Hydrogenation; D033363:Neutron Diffraction; D044367:Phase Transition; D013059:Spectrum Analysis, Raman; D013696:Temperature
chemical_list: D000409:Alanine