含能配合物[Zn(DAT)_6](ClO_4)_2(DAT=1,5-二氨基四唑)的合成、晶体结构及性质  

Synthesis,Crystal Structure,and Properties of an Energetic Compound [Zn(1,5-diaminotetrazole)_6](ClO_4)_2

作　　者：尚静[1] 张建国[1] 崔燕[2] 张同来[1] 舒远杰[3] 杨利[1] 

机构地区：[1]北京理工大学爆炸科学与技术国家重点实验室,北京100081 [2]中国人民解放军防化研究院第六研究所,北京102205 [3]中国工程物理研究院化工材料研究所,绵阳621900

出　　处：《化学学报》2010年第3期233-238,共6页Acta Chimica Sinica

基　　金：国家自然科学基金(Nos10776002;20911120033)资助项目

摘　　要：采用直接法合成了新型高氮含能配合物[Zn(DAT)6](ClO4)2(DAT=1,5-二氨基四唑),并用元素分析、傅立叶变换红外光谱对其结构进行了表征.利用缓慢蒸发溶剂法培养出其单晶,采用X射线单晶衍射仪测定其晶体结构,结果表明该晶体属于三方晶系,P3空间群,a=b=1.18398(9)nm,c=0.65700(10)nm,γ=120°,V=0.79760(15)nm3,Z=1.在目标配合物的最小不对称单元中有1个Zn2+,6个DAT分子和2个ClO-4.来自6个DAT分子的6个N原子分别与中心Zn2+配位,形成一个六配位、非中心对称的畸变八面体结构.用差示扫描量热分析、热重-微分热重分析结合红外光谱研究了标题化合物的热分解机理以及分解反应动力学参数.测定了标题配合物的感度性能,结果表明标题配合物具有一定的摩擦感度.An environmentally friendly energetic coordination compound [Zn（DAT）6]（ClO4）2（DAT= 1,5-diaminotetrazole） has been synthesized by using DAT as ligand,characterized by elemental analysis and FT-IR spectroscopy.The single crystal structure of the title compound was determined by applying X-ray single crystal diffraction,which shows that the crystal belongs to trigonal crystal system with space group P 3,and its crystal parameters：a=b=1.18398（9） nm,c=0.65700（10） nm,γ=120°,V=0.79760（15） nm^3,and Z=1.There are one Zn^2＋,six DAT molecules and two ClO4^- in the minimum asymmetric unit of the title compound.The central zinc（II） cation is coordinated by six N atoms from six DAT molecules to form a six-coordinated and distorted octahedral structure.Thermal decomposition mechanism of [Zn（DAT）6]-（ClO4）2 was predicted based on DSC,TG-DTG and FT-IR analysis results.Also the kinetic parameters of the first exothermic process and sensitivities of the title compound have been studied.The result shows that the title compound has good friction sensitivity.

关 键 词：1 5-二氨基四唑 含能配合物 晶体结构 热分解机理 感度性质 

分 类 号：O621.13[理学—有机化学] O627[理学—化学]