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1,2,3-三唑并[4,5,-e]呋咱[3,4,-b]吡嗪 6-氧化物——一个具有游动氢的稠合杂环,形成了一类新型的钝感含能材料。

1,2,3-Triazolo[4,5,-e]furazano[3,4,-b]pyrazine 6-oxide--a fused heterocycle with a roving hydrogen forms a new class of insensitive energetic materials.

机构信息

Department of Chemistry, University of Idaho, Moscow, ID 83844-2343 (USA), Fax: (+1) 208-885-9146.

出版信息

Chemistry. 2014 Jan 7;20(2):542-8. doi: 10.1002/chem.201303469. Epub 2013 Nov 28.

Abstract

The straightforward synthesis and energetic properties of a new class of energetic materials, 1,2,3-triazolo- [4,5-e]furazano[3,4-b]pyrazine 6-oxide and its energetic salts are described. They were characterized by IR and multinuclear NMR spectroscopy, elemental analysis, differential scanning calorimetry, and single-crystal X-ray diffraction are given. The X-ray structures show that in the title compound, the hydrogen atom is bonded to the nitrogen in the pyrazine ring; however, in the salts, the negative charge is associated with the triazole nitrogen. Heats of formation for all compounds were calculated with the G2 method and then combined with experimentally determined densities to obtain detonation pressures (P) and velocities (D) by using EXPLO5 program. These new materials exhibit good densities and thermal stabilities, high heats of formation, acceptable detonation properties, and are insensitive to impact.

摘要

新型含能化合物 1,2,3-三唑并[4,5-e]呋咱[3,4-b]吡嗪-6-氧化物及其含能盐的简便合成与能量性质研究。采用红外光谱和多核 NMR 光谱、元素分析、差示扫描量热法和单晶 X 射线衍射对其进行了表征。X 射线结构表明,在标题化合物中,氢原子与吡嗪环上的氮原子键合;然而,在盐中,负电荷与三唑氮原子相连。采用 G2 方法计算了所有化合物的生成焓,然后结合实验测定的密度,利用 EXPLO5 程序获得了爆轰压力(P)和速度(D)。这些新材料表现出良好的密度和热稳定性、高生成焓、可接受的爆轰性能,且对冲击不敏感。

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