Citation: XU Cheng, BI Fu-Qiang, ZHANG Min, LIU Qing DING, GE Zhong-Xue. Synthesis, Structural Characterization and Properties of Bis(1,5-diamino-1H-tetrazolium) 3,3'-bis(nitramino)-4,4'-azofurazan[J]. Chinese Journal of Structural Chemistry, ;2015, 34(9): 1341-1346. doi: 10.14102/j.cnki.0254-5861.2011-0676
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An energetic salt of bis(1,5-diamino-1H-tetrazolium)3,3'-bis(nitramino)-4, 4×-azofurazan (C6H10N22O6) was synthesized with the total yield of 61.7% by using 3,4-diaminofurazan (DAF) as the starting material. The structure of the title compound was confirmed by NMR, IR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group P21/c with a=10.739(2), b=6.4765(12), c=14.138(3) Å, β=108.787(3)°, V=930.9(3) Å3, Z=1, Mr=486.36, Dc=1.735 g·cm-3, μ=0.15 mm-1, F(000)=496, R=0.042 and wR=0.121. The thermal stability was analyzed by subsequently differential scanning calorimetry (DSC). And the enthalpy of formation and detonation was calculated theoretically, showing the first decomposition temperature was 142.1℃, the enthalpy of formation was 1614.23 kJ·mol-1 and the detonation velocity and detonation pressure were 8.781 km·s-1 and 30.7 GPa, respectively.
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