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首页> 外文期刊>Journal of chemical crystallography >Synthesis and structure analysis of diammonium 3,5-dinitro-1,2,4-cyclopentanetrione
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Synthesis and structure analysis of diammonium 3,5-dinitro-1,2,4-cyclopentanetrione

机译：3,5-二硝基-1,2,4-环戊烷三酮二铵的合成与结构分析

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摘要

A new energetic ionic compound, diammonium 3,5-dinitro-1,2,4-cyclopentanetrione (DDCP), has been synthesized. It has been characterized by elemental analysis, IR, and single-crystal X-ray diffraction. The compound crystallizes in triclinic system, space group P1, a=4.485(1) angstrom, b=7.527(1) angstrom, c=13.367(1) angstrom, alpha=94.15(1)degrees, beta=92.73(1)degrees, gamma=101.75(1)degrees, V=439.72(11) angstrom(3), Z=2, and D (calc)=1.784 Mg m(-3); R=0.0331, R (w)=0.0892 for 1643 reflections with I > 2 sigma(I). The entities of two ammonium cations and 3,5-dinitro-1,2,4-cyclopentanetrione anions are held by electrostatic forces and intermolecular hydrogen bonds. The bivalent anion exists as all kinds of resonance structures, which is in favor of stability of the anion. The thermal decomposition of title compound is studied by using DSC and TG-DTG techniques. The results show that the title compound has a higher enthalpy change and can evolve abundant gas products.
机译：合成了一种新的高能离子化合物3,5-二硝基-1,2,4-环戊烷三酮二铵（DDCP）。它已通过元素分析，IR和单晶X射线衍射进行了表征。该化合物在三斜晶系系统中结晶，空间群P1，a = 4.485（1）埃，b = 7.527（1）埃，c = 13.367（1）埃，alpha = 94.15（1）度，beta = 92.73（1）度，gamma = 101.75（1）度，V = 439.72（11）埃（3），Z = 2，D（计算）= 1.784 Mg m（-3）;对于I> 2 sigma（I）的1643次反射，R = 0.0331，R（w）= 0.0892。两个铵阳离子和3,5-二硝基-1,2,4-环戊烷三酮阴离子的实体通过静电力和分子间氢键保持。二价阴离子以各种共振结构形式存在，这有利于阴离子的稳定性。通过DSC和TG-DTG技术研究了标题化合物的热分解。结果表明，标题化合物具有较高的焓变并且可以释放出丰富的气体产物。

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