两个 2,6-二氨基-3,5-二硝基吡嗪-1-氧化物含能配合物的合成、晶体结构及催化性能(英文)

Synthesis, Crystal Structure and Catalytic Properties of Two Energetic Complexes Containing 2,6-Diamino-3,5-dinitropyrazine-1-oxide

合成了2,6-二氨基-3,5-二硝基吡嗪-1-氧化物(LLM-105)2种含能配合物[Cu4O2(C4N6O5H2)2(CH3COO)2(DMF)2]·DMF(1)((C4N6O5H2)2-为配体LLM-105失去2个H+)和[Co(C4N6O5H3)3]·7H2O(2)((C4N6O5H3)-为LLM-105失去1个H+),用X射线单晶衍射法测定了其分子结构。配合物1属正交晶系,空间群为Pbca,配合物2属三斜晶系,空间群为R3。用DSC,TG-DTG技术对配体和2个配合物的热分解进行了研究。用Kissinger法和Ozawa-Doyle法对配合物热分解过程中放热峰的表观活化能进行了计算。同时研究了2种配合物对AP热分解催化效果的影响,结果表明,2种配合物使AP的高温分解峰温分别提前117.42和71.85℃,分解放热量增加1 916.97和1 433.76 J·g-1,对AP热分解具有非常显著的催化效果。

Two energetic complexes with 2,6-diamino-3,5-dinitropyrazine-1-oxide （LLM-105） [Cu4O2 （C4N6O5H2）2（CH3COO）2（DMF）2]·DMF（1）（（C4N6O5H2）2-is obtained by losing two protons from LLM-105） and [Co（C4N6O5H3）3]·7H2O（2） （（C4N6O5H3）- is obtained by losing a proton from LLM-105） have been synthesized and structurally characterized using X-ray diffraction. The results reveal that complex 1 belongs to the orthorhombic system （space group Pbca） and complex 2 belongs to the trigonal system （space group R3）. Thermal decomposition of LLM-105 and two complexes was examined by DSC and TG-DTG analyses. The kinetic parameters of the exothermic processes of two complexes were studied by the Kissingers and Ozawa-Doyles methods. DSC measurements show that two complexes have decreased the higher thermal decomposition temperature of AP by 117.42 and 71.85 ℃, increased the exothermic quantity of decomposition by 1 916.97 and 1 433.76 J·g-1 respectively, showing good catalytic effects on the thermal decomposition of AP. CCDC： 938305, LLM-105; 911164, 1; 911163, 2.