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

Journal Article · Mon Dec 10 04:00:00 EST 2012 · J. Chem. Phys.

DOI:https://doi.org/10.1063/1.4732097· OSTI ID:1048953

McWilliams, R Stewart; Kadry, Yasmin; Mahmood, Mohammad F; Goncharov, Alexander F; Ciezak-Jenkins, Jennifer ^[1]

---

1. Howard

The structural and chemical properties of the bi-molecular, hydrogen-bonded, nitrogen-rich energetic material triaminoguanidinium 1-methyl-5-nitriminotetrazolate C{sub 3}H{sub 12}N{sub 12}O{sub 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.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: NSFOTHERU.S. ARMY RESEARCH
• OSTI ID: 1048953
• Journal Information: J. Chem. Phys., Journal Name: J. Chem. Phys. Journal Issue: (5) ; 08, 2012 Vol. 137; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

08 HYDROGEN
CHEMICAL PROPERTIES
CHEMICAL REACTIONS
COMPRESSION
EQUATIONS OF STATE
FERMI RESONANCE
HYDROGEN
ORGANIC COMPOUNDS
PRESSURE DEPENDENCE
RELAXATION
SPECTROSCOPY
TRANSFORMATIONS
X-RAY DIFFRACTION