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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Stable High-Nitrogen Energetic Trinuclear Compounds based on 4-Amino-3,5-dimethyl-1,2,4-triazole:Synthesis, Structures, Thermal and Explosive Properties
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Stable High-Nitrogen Energetic Trinuclear Compounds based on 4-Amino-3,5-dimethyl-1,2,4-triazole:Synthesis, Structures, Thermal and Explosive Properties

机译：基于4-氨基-3,5-二甲基-1,2,4-三唑的稳定的高氮高能三核化合物：合成，结构，热和爆炸性质

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摘要

Six multi-ligand coordination compounds of the general formula [M_3(AMTz)_4(N_3)_6] [M = Cu (1), Co (2), Ni (3), Zn (4), Mn (5), and Cd (6), AMTz = 4-amino-3,5-dimethyl-1,2,4-triazole] were synthesized using 4-amino-3,5-dimethyl-1,2,4-triazole (AMTz) and azido groups. Compounds 1-6 were characterized by elemental analysis and FT-IR spectroscopy. Furthermore, compound 4 was characterized by X-ray single crystal diffraction. The crystal structure of 4 belongs to the monoclinic P2_1/c space group. Surprisingly, the Zn1 cations are five-coordinated with two AMTz molecules as the bidentate ligands through N1 and N5 atoms, two azido ligands with μ-1 coordination modes and one azido ligand with μ-1,1 coordination mode. In addition, the Zn2 cation is six-coordinated with four AMTz molecules as the bidentate ligands through N2 and N6 atoms, and two azido ligands with μ-1,1 coordination modes. Thermal decomposition mechanisms were determined based on differential scanning calorimetry (DSC), and kinetic parameters of the first exothermic process were studied using Kissinger's and Ozawa's method, respectively. The critical temperatures of thermal explosion, entropies of activation (ΔS~≠), enthalpies of activation (ΔH~≠), and free energies of activation (ΔG~≠) were calculated. In the end, the sensitivities properties were also determined with standard methods.
机译：六个通式为[M_3（AMTz）_4（N_3）_6]的多配位体配位化合物[M = Cu（1），Co（2），Ni（3），Zn（4），Mn（5）和Cd（6），AMTz = 4-氨基-3,5-二甲基-1,2,4-三唑]是使用4-氨基-3,5-二甲基-1,2,4-三唑（AMTz）和叠氮基合成的组。通过元素分析和FT-IR光谱表征化合物1-6。此外，化合物4通过X射线单晶衍射来表征。 4的晶体结构属于单斜晶P2_1 / c空间群。令人惊讶地，Zn1阳离子通过N1和N5原子与两个作为双齿配体的AMTz分子，两个具有μ-1配位模式的叠氮基配体和一个具有μ-1,1配位模式的叠氮基配体五配位。此外，Zn2阳离子与六个AMTz分子（通过N2和N6原子作为双齿配体）和两个具有μ-1,1配位模式的叠氮基配体六配位。基于差示扫描量热法（DSC）确定了热分解机理，并分别使用基辛格（Kissinger）方法和小泽（Ozawa）方法研究了第一个放热过程的动力学参数。计算了热爆炸的临界温度，激活熵（ΔS〜≠），激活焓（ΔH〜≠）和激活自由能（ΔG〜≠）。最后，还使用标准方法确定了敏感性特性。

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