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

The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C(3)H(12)N(12)O(2) (TAG-MNT) have been investigated at room pressure and under high pressure isothermal compression using powder x-ray dif...

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Bibliographic Details
Published in:The Journal of chemical physics 2012-08, Vol.137 (5), p.054501-054501
Main Authors: McWilliams, R Stewart, Kadry, Yasmin, Mahmood, Mohammad F, Goncharov, Alexander F, Ciezak-Jenkins, Jennifer
Format: Article
Language:English
Subjects:
08 HYDROGEN
CHEMICAL PROPERTIES
CHEMICAL REACTIONS
Compressing
COMPRESSION
Correlation
Discontinuity
Energetic materials
EQUATIONS OF STATE
FERMI RESONANCE
HYDROGEN
ORGANIC COMPOUNDS
Phase transformations
PRESSURE DEPENDENCE
RELAXATION
SPECTROSCOPY
Stiffening
TRANSFORMATIONS
X-RAY DIFFRACTION
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Summary:The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C(3)H(12)N(12)O(2) (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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4732097