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合成了一种新型含能锌配合物[Zn(en)3](FOX-7)2,并测定其晶体结构。该晶体属单斜晶系,空间群C2/c,晶胞参数为:a=0.77170(16)nm,b=1.6720(3)nm,c=1.6996(3)nm,β=94.333(3)°,V=2.1867(7)nm3,Z=4,μ=1.194mm-1,F(000)=1112,Dc=1.628g·cm-3,R1=0.0359,wR2=0.0955。中心锌离子与三个乙二胺分子中的六个N原子发生配位,形成了一个畸变的八面体结构,FOX-7-阴离子并未与中心Zn2+发生配位作用,而以外界离子的形式存在于分子结构中。用非等温DSC,TG/DTG法研究了[Zn(en)3](FOX-7)2的热分解行为,其自加速分解温度和热爆炸临界温度分别为167.1℃与168.8℃。[Zn(en)3](FOX-7)2的热稳定性低于Zn(NH3)2(FOX-7)2。[Zn(en)3](FOX-7)2的撞击感度约为20.6J。
A novel Zn (en) 3] (FOX-7) 2 complex has been synthesized and its crystal structure has been determined. The crystal belongs to the monoclinic system with a space group of C2 / c with a = 0.77170 (16) nm and b = 1.6720 (3) nm, c = 1.6996 (3) nm and β = 94.333 , V = 2.1867 (7) nm3, Z = 4, μ = 1.194 mm-1, F (000) = 1112, Dc = 1.628 g · cm -3, R1 = 0.0359, wR2 = 0.0955. The central zinc ion coordinates with six N atoms in three ethylenediamine molecules to form a distorted octahedron structure. The FOX-7 anion does not coordinate with the central Zn2 +, but in the form of external ions Exist in the molecular structure. The thermal decomposition behavior of [Zn (en) 3] (FOX-7) 2 was investigated by non-isothermal DSC and TG / DTG methods. The self-accelerating decomposition temperature and the critical temperature of thermal explosion were 167.1 ℃ and 168.8 ℃, respectively. The thermal stability of [Zn (en) 3] (FOX-7) 2 is lower than that of Zn (NH3) 2 (FOX-7) 2. The impact sensitivity of [Zn (en) 3] (FOX-7) 2 is about 20.6J.