富氮多环含能离子盐的合成和性能  

Synthesis and Properties of Nitrogen-rich Polycyclic Energetic Ionic Salts

作　　者：王喆 尹平 庞思平[1] WANG Zhe;YIN Ping;PANG Si-ping(School of Materials Science and Engineering,Beijing Institute of Technology,Beijing 100081,China)

机构地区：[1]北京理工大学材料学院,北京100081

出　　处：《含能材料》2024年第6期623-630,共8页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金(22075023)。

摘　　要：以多氨基稠环化合物6,7-二氨基-3亚氨基-[1,2,4]三唑并[1,2,4]三唑连四唑(TATOT-T)为原料,经过高锰酸钾氧化偶联和高氯酸成盐等步骤,合成了一种偶氮桥联的富氮多环含能化合物2,2′-二四唑基-3,6-二氨基-7,7′-偶氮基-[1,2,4]三唑并[1,2,4]三唑高氯酸盐(2)。采用傅里叶红外光谱、核磁共振、元素分析、X-射线单晶衍射技术,以及差示扫描量热法(DSC)和热重分析(TG)对化合物2进行结构表征和热性能分析,结合高斯软件计算的生成焓,使用EXPLO5软件计算了其爆轰性能。结果表明,所得化合物2晶体属于单斜晶系,晶体密度为1.750 g·cm^(-3),每个晶胞中包含4个分子,起始热分解温度为232.6℃,理论爆速为8373 m∙s-1,爆压为29.05 GPa,撞击感度为40 J,摩擦感度为360 N,对外界机械刺激钝感,具有良好综合性能。A coupling reaction using hydrochloric acid and potassium permanganate as oxidizing agents was carried out to syn-thesize compound 1 from the polyamino fused heterocyclic compound 5-(6,7-diamino-3-imino-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazolo-2(7H)-yl)tetrazole.Subsequent displacement reaction in perchloric acid gave the perchlorate 2.The structure and thermal performance of compound 2 were characterized by X-ray single crystal diffraction,Fourier Infrared spectroscopy,Nuclear Magnetic Resonance,elemental analysis,differential scanning calorimetry(DSC)and thermogravimetry analysis(TG).Additionally,the heat of formation was computed using Gaussian software,and the detonation properties of compound 2 were calculated using EXPLO5 software.The results showed that compound 2 crystallizes in the monoclinic crystal system,possessing a crystal density of 1.750 g·cm^(-3) with four molecules per unit cell.The onset thermal decomposition temperature of compound 2 is 232.6℃,its theoretical detonation velocity and pressure are 8373 m∙s^(-1) and 29.05 GPa,respectively.Remarkably,com-pound 2 exhibited insensitivity to external mechanical stimuli,evidenced by an impact sensitivity of 40 J and a friction sensitivity of 360 N,indicative of its robust performance overall.

关 键 词：富氮含能化合物 偶氮桥联 四唑 稠环 稳定性 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O64[理学—物理化学]