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Title: High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone

We have studied the structural and chemical response of tetrahydroxy-p-benzoquinone to isothermal compression to near 20 GPa using powder x-ray diffraction and vibrational spectroscopy. Compression beyond 11.5 GPa resulted in the appearance of several new peaks in the x-ray patterns, changes in the peak distribution and intensities, as well as the disappearance of features observed at lower pressures, which when coupled with concomitant changes in the infrared spectrum are indicative of a phase transition. Further analysis of the infrared spectra suggest this phase transition results in an increase in the anharmonicity of the system. Finally, Raman spectroscopic experiments indicate the high-pressure phase to be highly photosensitive and easily polymerized.
  1. Army Research Lab., Aberdeen Proving Ground, MD (United States)
Publication Date:
Grant/Contract Number:
NA0002006; Ac02-05CH11231; NA0001974; FG02-99ER45775; AC020-98CH10886
Accepted Manuscript
Journal Name:
Journal of Molecular Structure
Additional Journal Information:
Journal Volume: 1119; Journal Issue: C; Journal ID: ISSN 0022-2860
Research Org:
Carnegie Inst. of Washington, Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; high-pressure; diamond anvil cell; spectroscopy
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1359572