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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials
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Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

机译:具有1,2,3-三唑的四唑和二硝基甲基导致聚唑能量材料

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摘要

A class of polyazole energetic compounds (combination of tetrazolyl, dinitromethyl and triazole) was obtained from 4,5-dicyanotriazole. All the new compounds were fully characterized by IR, NMR [H-1, C-13 {H-1}], elemental analysis, and differential scanning calorimetry (DSC). Compounds 5, 6 and 8 were further characterized with single-crystal X-ray diffraction studies. Heats of formation and detonation performances were determined using Gaussian 03 and EXPLO5 v6.01 programs, which show that 5 is a promising green primary explosive and 7 as a secondary explosive has a detonation velocity superior to 1,3,5-trinitro-triazacyclohexane (RDX).
机译:一类聚唑能量化合物(四唑基,二硝基甲基和三唑)的组合从4,5-二氰基唑得到。 所有新化合物通过IR,NMR [H-1,C-13 {H-1},元素分析和差示扫描量热法(DSC)完全表征。 通过单晶X射线衍射研究进一步表征化合物5,6和8。 使用高斯03和爆炸性测定形成和爆炸性能的热量,并利用5 v6.01节目,表明5是有前景的绿色初级炸药,7作为二次爆炸性的爆炸速度优于1,3,5-三腈 - 三氮杂环己烷( RDX)。

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