Abstract / Description of output
The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C3H12N12O2 (TAG-MNT) have been investigated at room pressure and under high pressure isothermal compression using powder x-ray diffraction and Raman and infrared spectroscopy. A stiffening of the equation of state and concomitant structural relaxation between 6 and 14 GPa are found to correlate with Raman mode disappearances, frequency discontinuities, and changes in the pressure dependence of modes. These observations manifest the occurrence of a reversible martensitic structural transformation to a new crystalline phase. The onset and vanishing of Fermi resonance in the nitrimine group correlate with the stiffening of the equation of state and phase transition, suggesting a possible connection between these phenomena. Beyond 15 GPa, pressure induces irreversible chemical reactions, culminating in the formation of a polymeric phase by 60 GPa. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4732097]
Original language | English |
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Article number | 054501 |
Number of pages | 12 |
Journal | The Journal of Chemical Physics |
Volume | 137 |
Issue number | 5 |
DOIs | |
Publication status | Published - 7 Aug 2012 |
Keywords / Materials (for Non-textual outputs)
- DENSITY
- PHASE
- GPA