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Hydrogen-Bonding Modification in Biuret Under Pressure. | LitMetric

Hydrogen-Bonding Modification in Biuret Under Pressure.

J Phys Chem A

RDRL-WML-B, U.S. Army Research Laboratory , Aberdeen Proving Ground, Maryland 21005, United States.

Published: February 2017

AI Article Synopsis

  • Biuret has been analyzed under high pressure (up to 30 GPa via Raman spectroscopy and 50 GPa via X-ray diffraction) to study its molecular behavior.
  • Raman spectroscopy reveals changes in molecular orientation and vibrations (involving N-H and C=O bonds), particularly in specific pressure ranges: 3-5 GPa, 8-12 GPa, and 16-20 GPa.
  • X-ray diffraction shows that biuret maintains a monoclinic crystal structure even at high pressures, with observed changes being reversible despite some degree of hysteresis.

Article Abstract

Biuret (CHNO) has been studied to 30 GPa by Raman spectroscopy and 50 GPa by X-ray diffraction. Raman peaks exhibit shoulders and splitting that suggests that the molecules undergo reorientation in response to compression. These are observed in three pressure ranges: the first from 3-5 GPa, the second from 8-12 GPa, and finally from 16-20 GPa. The particular modes in the sample that are observed to change in the Raman are strongly linked to the molecular vibrations involving the N-H and the C═O bond, which are most strongly coupled to the hydrogen-bonded lattice structure. The X-ray diffraction suggests that the crystal maintains a monoclinic structure to the highest pressures studied. Although there was a considerable degree of hysteresis observed in some X-ray runs, all the changes observed under pressure are reversible.

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Source
http://dx.doi.org/10.1021/acs.jpca.6b09670DOI Listing

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