含能配合物[Ag_2(DAT)_4](NO_3)_2(DAT=1,5-二氨基四唑)的合成、晶体结构及性能  

Synthesis,Crystal Structure and Properties of Energetic Complex[Ag_2(DAT)_4](NO_3)_2

作　　者：张至斌 许彩霞[1] 张建国[1] 殷昕[1] 尹磊[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

出　　处：《含能材料》2016年第8期757-762,共6页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金项目(10776002)

摘　　要：以1,5-二氨基四唑(DAT)与硝酸银为起始原料制备了新型含能配合物[Ag_2(DAT)_4](NO_3)_2,收率86%。用元素分析和傅里叶变换红外光谱法对其结构进行了表征。培养了目标配合物的单晶。用X-射线单晶衍射仪测定了其晶体结构。用差示扫描量热法研究了其热分解行为。用Kissinger法和Ozawa法计算了其非等温反应动力学参数:活化能E_K和E_O。计算了其热爆炸临界温度T_b。用氧弹测定了其燃烧热Q_v。计算了其标准生成焓Δ_fH~Θ_(298))。测试了目标配合物的摩擦、撞击和火焰感度。结果表明,目标配合物属于单斜晶系,P21/n空间群,晶胞参数为:a=6.8109(9),b=19.654(3),c=8.4510(11),β=102.590(3)°,V=1104.1(3)~3,Z=2,Dc=2.228 g·cm^(-3),F(000)=729。对目标配合物,E_K=204.9 k J·mol^(-1),E_O=202.8 k J·mol^(-1),T_b=224.4℃,Q_v=-4177.59k J·mol^(-1),Δ_fH~Θ_(298)=258.14 k J·mol^(-1),目标配合物对撞击和火焰不敏感,对摩擦较为敏感。A novel energetic complex [Ag2（DAT）4]（NO3）2 （DAT=1,5-diaminotetrazole） was synthesized by using 1,5-diaminotetrazole （DAT） and AgNO3 as raw materials, and the yield was 86% .Its structure was characterized by elemental analysis and Fourier transform infrared （FT-IR） spectroscopy. The single crystal of the target complex was cultured and its structure was determined by X-ray single-crystal diffraction instrument. Its thermal decomposition behavior was investigated by differential scanning calorimetry （DSC）.Its kinetic parameters （activation energies EK and EO） of non-isothermal reaction were calculated by Kissinger method and Ozawa method. Its critical temperature of thermal explosion Tb was calculated. Its constant-volume energy of combustion （Qv） was measured by using an oxygen bomb calorimeter. Its standard heat of formation was calculated. The impact, friction and flame sensitivities of the target complex were measured. Results show that the crystal of the target complex is monoclinic, space group P21/n with the cell parameters of a=6.8109（9） , b=19.654（3） , c=8.4510（11） , β=102.590（3）°,V=1104.1（3） 3, Z=2, Dc =2.228 g·cm-3,F（000）=729. For the target complex, EK=204.9 kJ·mol-1,EO=202.8 kJ·mol-1, Tb=224.4 ℃, QV=-4177.59 kJ·mol-1, ΔfHΘ298=258.14 kJ·mol-1. The target complex is insensitive to impact and flame, but sensitive to friction.

关 键 词：1 5-二氨基四唑(DAT) 含能配合物 晶体结构 热分析 感度 

分 类 号：TQ560.1[化学工程—炸药化工]