Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 120, Issue 17, Pages 8060-8066Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1690754
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Structural changes in 1,1-diamino-2,2-dinitroethylene (DADNE, FOX-7) compressed to high pressure in diamond anvil cells were investigated using angle-dispersive x-ray diffraction analysis, Raman spectroscopy, and optical polarizing microscopy. The x-ray results show several changes above 1 GPa. When the x-ray data are indexed according to the ambient-pressure structure, DADNE shows anisotropic compression, with higher compression along the b axis than along the a or c axis. An ambient-temperature isothermal equation of state of DADNE was generated from these data. In addition, the experimentally obtained Raman spectra were matched with vibrational normal modes calculated using quantum chemistry calculations. The shifts in vibrational modes indicate changes in H-wagging vibrations with pressure.
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