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Synthesis and Characterization of 3,3′-Bis(Dinitromethyl)-5,5′-Azo-1H-1,2,4-Triazole
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2011-06-15 , DOI: 10.1002/zaac.201100196
Alexander A. Dippold , Thomas M. Klapötke

The synthesis of 3,3′-bis(dinitromethyl)-5,5′-azo-1H-1,2,4-triazole (5) using the readily available starting material 2-(5-amino-1H-1,2,4-triazol-3-yl)acetic acid (1) is described. All compounds were characterized by means of NMR, IR, and Raman spectroscopy. The energetic compound 5 was additionally characterized by single-crystal X-ray diffraction and DSC measurements. The sensitivities towards impact, friction and electrical discharge were determined. In addition, detonation parameters (e.g. heat of explosion, detonation velocity) of the target compound were computed using the EXPLO5 code based on the calculated (CBS-4M) heat of formation and X-ray density.

中文翻译:

3,3'-双(二硝基甲基)-5,5'-偶氮-1H-1,2,4-三唑的合成与表征

3,3'-双(二硝基甲基)-5,5'-偶氮-1H-1,2,4-三唑 (5) 使用易得的原料 2-(5-amino-1H-1,2) 的合成描述了,4-三唑-3-基)乙酸(1)。所有化合物均通过 NMR、IR 和拉曼光谱进行表征。含能化合物 5 还通过单晶 X 射线衍射和 DSC 测量进行了表征。确定了对冲击、摩擦和放电的敏感性。此外,目标化合物的爆轰参数(例如爆炸热、爆速)是使用 EXPLO5 代码基于计算的 (CBS-4M) 形成热和 X 射线密度计算的。
更新日期:2011-06-15
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