Combination of Nitropyrazole and Nitroaminotriazole: A Novel High-Energy Insensitive Energetic Material

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2025-04-28 DOI:10.1021/acs.cgd.5c0023110.1021/acs.cgd.5c00231

Luyao Chen, Jie Tang, Teng Zhu, Chengchuang Li, Wei Hu, Chuan Xiao, Guangbin Cheng* and Hongwei Yang*,

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引用次数: 0

Abstract

Currently, within the realm of high-energy material research, the foremost priority lies in harmonizing detonation performance and mechanical sensitivity. In this study, a high-energy insensitive tetracyclic energetic material N, N’-((4,4′-dinitro-1H,2′H-[3,3′-bipyrazole]-5,5′-diyl)bis(1H-1,2,4-triazole-3,5-diyl)) dinitramide (4) was designed by combining the high stability portion of bis(4-nitropyrazole) with the high energy portion of Nitroaminotriazole through ester cyclization reaction. Further combination with energetic bases forms energetic salts 5–9 with good detonation performance, high stability, and insensitivity. All newly synthesized compounds exhibit positive enthalpy of formation (ΔH_f: 978.3 to 1434.8 kJ/mol), outstanding detonation performance (D_v: 8125 to 9030 m/s; P: 26.05 to 34.6 GPa), and low mechanical sensitivity (IS ≥ 24 J, FS ≥ 360 N). Notably, the neutral tetracyclic energetic compound 4 (D_v = 9030 m/s, P = 34.6 GPa, IS = 24 J, FS = 360 N) demonstrates superior detonation performance and satisfactory mechanical sensitivity when compared to 1,3,5-trinitroperhydro-1,3,5-triazine (RDX, D_v = 8785 m/s, P = 34.7 GPa, IS = 7.4 J, FS = 120 N).

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硝基吡唑和硝基氨基三唑的组合：一种新型高能不敏感含能材料

目前，在高能材料的研究领域中，最重要的是协调爆轰性能和机械灵敏度。本研究将双（4-硝基吡唑）的高稳定性部分与硝基氨三唑的高能量部分通过酯环化反应结合，设计了一种高能不敏感四环能物质N， N ' -（（4,4 ' -二硝基- 1h，2 ' h-[3,3 ' -联吡唑]-5,5 ' -二基）双（1h -1,2,4-三唑-3,5-二基））二硝酰胺(4)。与含能碱进一步结合形成含能盐5-9，爆轰性能好，稳定性高，不敏感。所有新合成的化合物均表现出正的生成焓（ΔHf: 978.3 ~ 1434.8 kJ/mol），优异的爆轰性能(Dv: 8125 ~ 9030 m/s；P值：26.05 ~ 34.6 GPa)，机械灵敏度低（IS≥24 J, FS≥360 N）。值得注意的是，中性四环含能化合物4 （Dv = 9030 m/s, P = 34.6 GPa, IS = 24 J, FS = 360 N）与1,3,5-三硝基氢-1,3,5-三嗪（RDX, Dv = 8785 m/s, P = 34.7 GPa, IS = 7.4 J, FS = 120 N）相比，具有更好的爆轰性能和良好的机械灵敏度。

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.