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Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide

Abstract

In this study, a series of high-energy-density materials (1·2H2O–9) based on N-(3-nitro-1-(trinitromethyl)-1,2,4-triazol-5-yl)nitramide was synthesized and structurally characterized by 1H NMR, 13C NMR, IR spectroscopy, elemental analysis, and single-crystal X-ray diffraction. The crystal results demonstrated that potassium 3-nitro-5-(nitroimino)-1-(trinitromethyl)-1,2,4-triazolate hydrate (2·H2O) exhibits an infinite two-dimensional (2D) metal–organic framework (MOF) containing the coordination group NO2 and metal cation K+. Additionally, this 2D MOF exhibited a high oxygen content (46.41%) and positive oxygen balance (14.77%). Heats of formation and detonation properties for the newly prepared compounds were calculated by the Gaussian 09 and EXPLO 5 programs, respectively. Energetic evaluation indicated that these compounds demonstrate good detonation performances, all of which outperform traditional primary explosive mercury fulminate, lead azide, 2-diazo-4,6-dinitrophenol, and in some cases, even exceed the performance of high explosive RDX. Therefore, the high detonation parameters of the compounds enable these potential primary explosives to trigger the whole detonation easily. Furthermore, several attractive properties, such as excellent density (2.00 g cm-3), an impact sensitivity of 2 J, a friction sensitivity of 32 N, and low amount of toxic detonation products, make 2·H2O an eco-friendly primary explosive.

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Publication details

The article was received on 31 May 2017, accepted on 11 Jul 2017 and first published on 12 Jul 2017


Article type: Paper
DOI: 10.1039/C7NJ01917C
Citation: New J. Chem., 2017, Accepted Manuscript
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    Green primary energetic materials based on N-(3-nitro-1-(trinitromethyl)-1H-1,2,4-triazol-5-yl)nitramide

    T. Liu, X. Qi, K. Wang, J. Zhang, W. Zhang and Q. Zhang, New J. Chem., 2017, Accepted Manuscript , DOI: 10.1039/C7NJ01917C

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