Three new compounds based on 4,4′-azo-1,2,4-triazol-5-one: Synthesis, crystal structure and thermal properties

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• 作者：Jiajia Guo ; Jie Huang ; Jirong Song…
• 关键词：4 ; 4′-Azo ; 1 ; 2 ; 4 ; triazol ; 5 ; one ; High ; nitrogen energetic compound ; X ; Ray diffraction ; Thermal property
• 刊名：Chemical Research in Chinese Universities
• 出版年：2016
• 出版时间：October 2016
• 年：2016
• 卷：32
• 期：5
• 页码：812-817
• 全文大小：1,406 KB
• 刊物主题：Chemistry/Food Science, general; Analytical Chemistry; Inorganic Chemistry; Organic Chemistry; Physical Chemistry;
• 出版者：Springer Berlin Heidelberg
• ISSN：2210-3171
• 卷排序：32

文摘

A series of guanidine salts of 4,4′-azo-1,2,4-triazol-5-one with guanidine(1), aminoguanidine(2), diaminoguanidine(3) and triaminoguanidine(4) was prepared. Compounds 2―4 were characterized by infrared(IR) spectroscopy, elemental analysis and single-crystal X-ray diffraction. Thermal decomposition processes of compounds 1―4 were investigated by differential scanning calorimetry(DSC), and all the compounds showed good thermal stability up to 190 °C. Moreover, these four guanidine salts are more unstable with the increasing number of amino groups. Thermal stability parameters(T_{e, 0} and T_b) and thermodynamic functions(ΔS≠, ΔH≠ and ΔG≠) for compounds 1―4 were calculated. The constant-volume combustion heats(Δ_cU) for compounds 2―4 were determined and tended to increase with the increase of the number of amino groups. The calculated standard molar enthalpy of formation(Δ_fH_m0) of compounds 2―4 are–541.04,–178.67 and–83.08 kJ/mol, respectively. The impact sensitivities results indicate these four energetic salts are less sensitive than 1,3,5-trinitrotriazacyccohexane(RDX) and 1,3,5,7-tetranitrotetraqza-cyclo-octane(HMX).