NDLI: Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts

Content Provider	Royal Society of Chemistry (RSC)
Author	Gao, Huiqi Li, Chuan Zhang, Man Tang, Liwei Zhou, Zhiming Fu, Wei
Copyright Year	2017
Abstract	To reach the long-term, strongly desired goal of high energy density materials (HEDM), a novel N-bridged structure of N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine, and its selected nitrogen-rich energetic salts are designed and synthesized. All compounds are fully characterized by 1H and 13C NMR (in some cases, 15N NMR) spectroscopy, IR spectroscopy, HRMS and elemental analysis. Of these, salts 6·H2O and 10 are further confirmed by single-crystal X-ray diffraction. The densities of these compounds ranged from 1.67 to 1.86 g cm−3. All energetic salts exhibit excellent thermal stabilities with decomposition temperatures ranging from 216 to 299 °C and all are insensitive to impact. Decomposition of these thermally stable compounds (salts 2, 3, and 4) occurs at 299, 296, and 290 °C, respectively. Theoretical performance calculations (Gaussian 03 and EXPLO5 v6.01) provide detonation pressures and velocities for the energetic salts in the ranges 25.9–37.4 GPa and 8264–9364 m s−1, respectively; six of the energetic compounds have detonation velocities >9000 m s−1. Notably, the unique overall performance of salt 4 thus exceeds those of commonly used explosives such as HMX. Thus, due to its insensitivity (IS > 40 J, FS = 360 N), fairly high detonation velocity (vD = 9364 m s−1), exceptional thermal stability (Td = 290 °C), and high nitrogen content (N = 56.4%), salt 4 is a prospective candidate for a new class of insensitive, highly energetic explosives.
Starting Page	1769
Ending Page	1777
Page Count	9
File Format	HTM / HTML PDF
ISSN	20507488
Volume Number	5
Issue Number	4
Journal	Journal of Materials Chemistry A
DOI	10.1039/c6ta07740d
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	HRMS Energy density Nuclear magnetic resonance Spectroscopy Infrared spectroscopy Properties of water X-ray crystallography Gaussian beam Detonation velocity Nitrogen
Content Type	Text
Resource Type	Article
Subject	Chemistry Renewable Energy, Sustainability and the Environment Materials Science

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Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts

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Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts

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