3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪五唑盐的合成与性能

Synthesis and Charaterization of 3,5,7-Triamino[1,2,4]triazolo[4,3-a][1,3,5]triazine Pentazolate Salt

以五唑银为原料与3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪盐酸盐通过复分解反应合成了一种新型非金属五唑盐——3,5,7-三氨基-[1,2,4]三唑并[4,3-a][1,3,5]三嗪五唑盐(4)。通过X-射线单晶衍射、红外光谱(IR)、元素分析(EA)、核磁共振(NMR)对合成的新型五唑盐进行了结构表征,并采用热重分析(TG)和差示扫描量热分析(DSC)测试其热分解行为。使用原子化法计算了化合物4的生成焓,使用EXPLO5预测了爆轰性能,并采用BAM方法测试其撞击感度和摩擦感度。测试结果显示,化合物4的晶体密度为1.644 g·cm^(-3),属单斜晶系,P21/n空间群,氮含量77%,热分解温度113.8℃,生成焓491.5 kJ·mol^(-1),爆速7913 m·s^(-1),爆压19.6 GPa,撞击感度>40 J,摩擦感度>360 N。

A novel nonmetallic salt,3,5,7-triamino[1,2,4]triazolo[4,3-a][1,3,5]triazine pentazolate(4),was synthesized through a metathesis reaction by employing AgN5 as precusor with 3,5,7-triamino[1,2,4]triazolo[4,3-a][1,3,5]triazine hydrochloride.The structural characterization were carried out by X-ray single crystal diffraction,infrared spectroscopy(IR),elemental analysis(EA),nuclear magnetic resonance(NMR),and thermal decomposition behavior were determined by thermogravimetric analysis(TG)and differential scanning calorimetry(DSC).The enthalpy of formation of compound 4 was calculated using atomization method,the detonation performance was predicted using EXPLO5,and sensitivity was tested using BAM testing method.The results show that compound 4 exhibits a monoclinic crystal structure with a crystal density of 1.644 g·cm^(-3) and belongs to the P21/n space group.This compound has a nitrogen content of 77%,a thermal decomposition temperature of 113.8℃,and an enthalpy of formation of 491.5 kJ·mol^(-1).Furthermore,its detonation velocity was calculated at 7913 m·s^(-1),detonation pressure at 19.6 GPa;The impact sensitivities measured were>40 J,and friction sensitivity>360 N.