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Pressure-Induced Phase Transition in N-H···O Hydrogen-Bonded Molecular Crystal Oxamide

Journal Article · · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
DOI:https://doi.org/10.1021/jp302575k· OSTI ID:1050762

The effect of high pressure on the structural stability of oxamide has been investigated in a diamond anvil cell by Raman spectroscopy up to ~14.6 GPa and by angle-dispersive X-ray diffraction (ADXRD) up to ~17.5 GPa. The discontinuity in Raman shifts around 9.6 GPa indicates a pressure-induced structural phase transition. This phase transition is confirmed by the change of ADXRD spectra with the symmetry transformation from P1⁻ to P1. On total release of pressure, the diffraction pattern returns to its initial state, implying this transition is reversible. We discuss the pressure-induced variations in N-H stretching vibrations and the amide modes in Raman spectra and propose that this phase transition is attributed to the distortions of the hydrogen-bonded networks.

Research Organization:
Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
Sponsoring Organization:
FOREIGN
OSTI ID:
1050762
Journal Information:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Issue: (32) ; 08, 2012 Vol. 116; ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
ENGLISH

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