Abstract
DL-isoleucine single crystals were grown by the slow evaporation method
at ambient temperature. Their vibrational properties were studied at
ambient temperature as a function of pressure by Raman scattering. At
ambient conditions the mode assignment was done in terms of the
Potential Energy Distribution (PED) through density functional theory
calculations. Both nitrogen and neon were used as pressure transmitting
media. The pressure-dependent investigation shows modifications in the
Raman spectra recorded between 30 and 3200 cm(-1) that were interpreted
as phase transitions undergone by the crystal between 1.3 and 1.9 GPa
and between 3.6 and 5.1 GPa. Finally, stress was simulated on the unit
cell of the crystal from ambient up to 5.0 GPa. (C) 2019 Elsevier B.V.
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