Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate under pressure

R. Stewart McWilliams*, Yasmin Kadry, Mohammad F. Mahmood, Alexander F. Goncharov, Jennifer Ciezak-Jenkins

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4732097]

Original languageEnglish
Article number054501
Number of pages12
JournalThe Journal of Chemical Physics
Volume137
Issue number5
DOIs
Publication statusPublished - 7 Aug 2012

Keywords

  • DENSITY
  • PHASE
  • GPA

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