Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate under pressure
Abstract
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 01, 2012
- Source ID
- 10.1063/1.4732097
Entities
People
- Alexander Goncharov
- Jennifer A Ciezak-Jenkins
- Mohammad F. Mahmood
- R. Stewart Mcwilliams
- Yasmin Kadry
Organizations
- Army Research Office
- Carnegie Institution for Science
- Howard University
- National Science Foundation
- United States Army Research Laboratory
- United States Department of Energy