1,1'-二羟基-5,5'-联四唑铷盐的合成、晶体结构及性能

摘要

A new energetic material dirubidium 5,5'-bis (tetrazole-1-oxide) (BTORb) was synthesized by using 1 H,1'H-5,5'-bistetrazole-1,1'-diolate (BTO) as the original material.The monocrystal of target salt was first cultivated by the method of gradual evaporation,and the single crystal structure was menstruated by single X-ray diffraction.It is found that the Rb+ and BTO2-formed a dissymmetrical structure.In different layers,they are alternately arranged and connected with each other,forming a three-dimensional reticular structure.Its thermal decomposition behavior was investigated through DSC and TG-DTG technologies,indicating a good thermal stability with a decomposition temperature beginning at 292 ℃.Its kinetic parameters of non-isothermal reaction was calculated by Kissinger and Ozawa methods with the equation of Arrhenius is Ink=13.51-186.3 ×103/RT.Its standard heat of formation was calculated with the result of 274.91 kJ · mol-1.Its critical temperature of thermal explosion Tb is 356.7 ℃,indicating that the salt has a good thermal stability.The impact sensitivity (H50) of BTORb is 34.8 cm,with the drop hammer of 800 g.The friction sensitivity is 36％,under the condition of 70°,1.23 MPa.The 50％ fire energy of electrostatic spark sensitivity is 0.34 J.%以1,1'-二羟基-5,5'-联四唑(BTO)为起始原料合成新型含能材料——1,1'-二羟基-5,5'-联四唑铷(BTORb).用X-射线单晶衍射仪测定其晶体结构,结果表明Rb+与BTO形成8配位结构,不同片层的BTO与Rb+交替排列相互连接,构成三维网状结构.用差示扫描量热分析技术(DSC)和热重分析技术(TG-DTG)研究其热分解行为,其热分解温度起始于292℃,表明其热稳定性良好.用Kissinger法和Ozawa法计算其非等温反应动力学参数,得到其热分解Arrhenius方程为Ink=13.51-186.3×103/RT.计算得到其标准生成焓△iHθ298为274.91 kJ·mol-1.计算其热爆炸临界温度丁b为356.7 ℃C,表明其热安定性较好.800 g落锤下,BTORb的撞击感度H50为34.8 cm,70°摆角、1.23 MPa条件下,其摩擦感度爆炸百分数为36％,静电火花感度50％发火能量为0.34 J.