首页|Infrared spectra of the beta and gamma phases of oleic acid under high pressure
Infrared spectra of the beta and gamma phases of oleic acid under high pressure
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NSTL
Elsevier
Infrared spectra for the beta and gamma phases of oleic acid were obtained at room temperature (similar to 25 degrees C) under pressures of up to 5 and 10 GPa, respectively. Density functional theory (DFT) calculations were performed to examine the changes in the infrared spectra and crystal lattices of the beta and gamma phases that occur under pressure. Mode assignments for peaks that were observed to have a low-wavenumber shift with pressure were made based on the DFT-calculated infrared spectra. The C=O stretching and O-H stretching vibration peaks shifted to a lower wavenumber with pressure in both the beta and gamma phases because the hydrogen bonds became stronger with pressure and the C=O and O-H bonds weakened. The difference in the shift amount between the two phases was related to anisotropic compression in the crystal lattice. (C) 2021 Elsevier B.V. All rights reserved.
Infrared spectroscopyHigh pressureOleic acidLow-wavenumber shiftDensity functional theory calculationsTRANSITIONSPOLYMORPHSCRYSTALLIZATIONTRANSFORMATION
NSTL
Elsevier
