The High‐Pressure Characterization of Energetic Materials: 1‐Methyl‐5‐Nitramino‐1H‐Tetrazole

Abstract

Pressure -volume relations and optical Raman and Infrared spectra of polycrystalline 1MNT have been obtained under quasihydrostatic conditions up to 16 and 40 GPa, respectively, by using diamond anvil cell, synchrotron-based angle-resolved X-ray diffraction, and microspectroscopy. The X-ray measurements show that the pressure -volume relations remain smooth up to 16 GPa at room temperature, while vibrational measurements show no evidence of a phase transition to near 40 GPa. Anomalous increases of several vibrational intensities and bandwidths suggest that subtle molecular distortions and structural modifications occur in the crystal as pressure increases. Decompression experiments indicate the structural modifications are reversible.

High‐Pressure Characterization of High‐Performance Insensitive Energetic Materials: Dihydroxylammonium 5,5’‐Bis(3‐Nitro‐1,2,4‐Triazolate‐1N‐Oxide) (MAD‐X1)

“…This result is consistent with the trends identified from the X-ray diffraction experiments, as discussed below. The average peak shift value is 2.3 cm À 1 GPa À 1 , with a range between 0.6 and 5.8 cm À 1 GPa À 1 ; a value within the typical range for soft organic materials [9]. The largest frequency shift (5.8 cm À 1 GPa À 1 ) in MAD-X1 occurs for the asymmetric Figure 2.…”

“…This result is consistent with the trends identified from the X‐ray diffraction experiments, as discussed below. The average peak shift value is 2.3 cm −1 GPa −1 , with a range between 0.6 and 5.8 cm −1 GPa −1 ; a value within the typical range for soft organic materials . The largest frequency shift (5.8 cm −1 GPa −1 ) in MAD‐X1 occurs for the asymmetric stretch of the NO 2 groups around 1600 cm −1 , and may indicate changes to the position of that NO 2 and the resulting changes to the intermolecular interactions (nitro⋅⋅⋅ π and N−H⋅⋅⋅nitro) with increased pressure.…”

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

“…In addition, the large elemental percentage of hydrogen in TAG-MNT may offer a route to achieving both insensitivity and high detonation pressure. 10,11 Here we report on observations of the chemical and structural state of TAG-MNT under isothermal compression in a diamond-anvil cell to pressures similar to those observed during detonation 9 (27.3 GPa) using synchrotron xray diffraction, infrared absorption (IR) spectroscopy, and Raman spectroscopy. We have observed a martensitic structural transformation in TAG-MNT occurring between 9 and 13 GPa, followed by permanent pressure-induced chemical alteration above ∼20 GPa that ultimately leads to the synthesis of a polymeric phase.…”

Shear induced weakening of the hydrogen bonding lattice of the energetic material 5,5′-Hydrazinebistetrazole at high-pressure

“…As such, measuring the polymorphic phase behavior in response to static high-pressure conditions is necessary to reveal basic details regarding molecular deformation, interactions, and decomposition under pressure, thus yielding a better understanding of the basic chemistry under application of extreme conditions, as is found in detonation. This work is part of a continuing series that focuses on the development of a deeper understanding of the high pressure characteristics of high nitrogen materials [1,8,10,[14][15]. In this respect, this report will focus on the structural stability and vibrational behavior of 5,5'-Hydrazinebistetrazole (HBTA), shown in Figure 1.…”