A novel stable high-nitrogen energetic material: 4,4′-azobis(1,2,4-triazole)
A novel stable high-nitrogen energetic material: 4,4′-azobis(1,2,4-triazole)
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DOI：
10.1039/c0jm02970j
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发表时间：
2011-01-01
影响因子：
--
通讯作者：
Pang, Si-Ping
中科院分区：
文献类型：
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作者：
Qi, Cai;Li, Sheng-Hua;Pang, Si-Ping
合成了一种具有N， N'-偶氮键的新型高氮化合物4,4'-偶氮化合物（1,2,4-三唑）。用x射线衍射测定了固体结构。实验测定的地层密度和焓值与基于B3LYP方法的理论计算值吻合。DSC结果表明，4,4′-偶氮化合物（1,2,4-三唑）在较高的温度（313.36℃）下分解。与含有C， C'-偶氮键的3,3'-偶氮化合物（1,2,4-三唑）相比，N， N'-偶氮键提供了相对较高的密度和高能量的化合物。
A novel high-nitrogen compound with an N, N'-azo linkage, 4,4'-azobis(1,2,4-triazole), has been synthesized and well characterized. The solid-state structure was determined by X-ray diffraction. The experimentally determined density and enthalpy of formation matched with theoretically computed values based on the B3LYP method. The DSC result suggests that 4,4'-azobis(1,2,4-triazole) decomposes at a relatively high temperature (313.36 degrees C). By comparison with 3,3'-azobis(1,2,4-triazole), containing a C, C'-azo linkage, the N, N'-azo linkage was found to provide compounds with a relatively high density and high energy.