3，5-二氨基-4-硝基吡唑五唑新型含能离子盐合成和性能

以五唑钠盐为原料,与3,5?二氨基?4?硝基吡唑盐酸盐进行复分解反应合成了一种新型五唑非金属盐——3,5?二氨基?4?硝基吡唑五唑盐(3),并采用核磁共振(NMR)、X?射线单晶衍射分析(XRD)、傅里叶红外光谱(IR)和元素分析(EA)等分析手段对化合物3进行结构表征;利用差示扫描量热(DSC)和热重(TG)方法研究了化合物3的热分解过程,其初始分解温度为119.5℃,优于DABTT₂⁺(N₅^-)₂、GU⁺N₅^-和AG⁺N₅^-等大部分的五唑非金属盐,并采用Kissinger和Ozawa方法计算其表观活化能;基于实测密度(1.71 g·cm^-3和计算生成焓(503.3 kJ·mol^-1),采用Explo5 V6.05.02软件计算化合物3的爆速和爆压分别为8483 m·s^-1和26.4 GPa;采用BAM法测得化合物3的撞击感度和摩擦感度分别为10 J和216 N。

Synthesis and Properties of a Novel Energetic Salt 3,5-diamino-4-nitro-1H-pyrazol-2-ium Pentazolate

A novel energetic non?metallic pentazolate salt,3,5?diamino?4?nitro?1H?pyrazol?2?ium pentazolate(3),was synthesized by a metathesis reaction of 3,5?diamino?4?nitropyrazole hydrochloride with sodium pentazolate.The structure of 3 was characterized by nuclear magnetic resonance(NMR),single crystal X?ray diffraction analysis(SC?XRD),Fourier infrared spectroscopy(IR)and elemental analysis(EA).The study on thermal behavior of 3 by using differential scanning calorimetry(DSC)and thermogravimetry(TG)show that its onset decomposition temperature is 119.5℃,which is higher than most non?metallic pentazolate salts.The apparent activation energies were calculated based on DSC curves at different heating rates.Based on the measured density at room temperature(1.71 g·cm^-3 and calculated enthalpy of formation(503.3 kJ·mol^-1),the detonation performances of 3(D=8483 m·s^-1,p=26.4 GPa)were calculated by Explo5 V6.05.02 software.The impact sensitivity and friction sensitivity of 3 are 10 J and 216 N,respectively.