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High‐pressure Raman spectra of deuterated L ‐alanine crystal

2009; Wiley; Volume: 40; Issue: 8 Linguagem: Inglês

10.1002/jrs.2209

1097-4555

Renan de Oliveira Gonçalves, Paulo Freire, Heloisa N. Bordallo, J.A. Lima, F. E. A. Melo, J. Mendes Filho, D. N. Argyriou, R. J. C. Lima,

Solid-state spectroscopy and crystallography

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 ND 3 + . Copyright © 2009 John Wiley & Sons, Ltd.