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High-Pressure Far- and Mid-Infrared Study of 1,3,5-Triamino-2,4,6-trinitrobenzene

Journal Article · · Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory
DOI:https://doi.org/10.1021/jp903584x· OSTI ID:980235

Synchrotron infrared measurements of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) have been performed in the far-IR and mid-IR spectral regions up to {approx}30 and {approx}40 GPa, respectively. For the far-IR experiment, no pressurizing medium was used, whereas KBr was utilized as a pressurizing medium for the mid-IR experiment. For both experiments, pressure was cycled and IR spectra were recorded at various pressures to ascertain sample survival. In the high frequency region ({approx}3000 cm{sup -1}) of the mid-IR spectra, the peak frequencies of the NH{sub 2} symmetric and antisymmetric vibrational modes steadily decrease with increasing pressure, indicating strengthening of intermolecular hydrogen bonding with pressure. In both experiments, no apparent phase transition was observed to the highest pressures studied.

Research Organization:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Organization:
Doe - Office Of Science
DOE Contract Number:
AC02-98CH10886
OSTI ID:
980235
Report Number(s):
BNL--93153-2010-JA
Journal Information:
Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory, Journal Name: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory Journal Issue: 32 Vol. 113; ISSN 1089-5639; ISSN JPCAFH
Country of Publication:
United States
Language:
English