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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.
Authors:
 [1]
  1. Army Research Lab., Aberdeen Proving Ground, MD (United States)
Publication Date:
Grant/Contract Number:
NA0002006; Ac02-05CH11231; NA0001974; FG02-99ER45775; AC020-98CH10886
Type:
Accepted Manuscript
Journal Name:
Journal of Molecular Structure
Additional Journal Information:
Journal Volume: 1119; Journal Issue: C; Journal ID: ISSN 0022-2860
Publisher:
Elsevier
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
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; high-pressure; diamond anvil cell; spectroscopy
OSTI Identifier:
1379182
Alternate Identifier(s):
OSTI ID: 1359572

Ciezak-Jenkins, Jennifer A. High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone. United States: N. p., Web. doi:10.1016/j.molstruc.2016.04.062.
Ciezak-Jenkins, Jennifer A. High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone. United States. doi:10.1016/j.molstruc.2016.04.062.
Ciezak-Jenkins, Jennifer A. 2016. "High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone". United States. doi:10.1016/j.molstruc.2016.04.062. https://www.osti.gov/servlets/purl/1379182.
@article{osti_1379182,
title = {High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone},
author = {Ciezak-Jenkins, Jennifer A.},
abstractNote = {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.},
doi = {10.1016/j.molstruc.2016.04.062},
journal = {Journal of Molecular Structure},
number = C,
volume = 1119,
place = {United States},
year = {2016},
month = {4}
}