含能离子盐3-肼基-5-氨基-1H-1,2,4-三唑硝酸盐的合成、结构及性能分析  

Synthesis,Structure and Properties Analysis of Energetic Ionic Salt 3-Hydrazinium-5-amino-1H-1,2,4-triazolium

作　　者：杨真理 姚亚东 张建国[3] 陆祖嘉 YANG Zhen-li;YAO Ya-dong;ZHANG Jian-guo;LU Zu-jia(School of Chemical Engineering,Anhui University of Science and Technology,Huainan Anhui 232001,China;Beijing Institute of Aerospace Testing Technology,Beijing 100074,China;State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology,Beijing 100081,China)

机构地区：[1]安徽理工大学化学工程学院,安徽淮南232001 [2]北京航天试验技术研究所,北京100074 [3]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：《火炸药学报》2023年第12期1059-1065,共7页Chinese Journal of Explosives & Propellants

摘　　要：为了得到性能优良的含能材料,以3,5-二氨基-1,2,4三唑为原料,经重氮化、还原反应得到3-肼基-5-氨基-1H-1,2,4-三唑盐酸盐(化合物1),化合物1和硝酸银通过复分解反应制备一种新型含能离子盐3-肼基-5-氨基-1H-1,2,4-三唑硝酸盐(化合物2);通过红外光谱、核磁共振谱、质谱、元素分析和X-射线单晶衍射分析等对化合物2进行结构表征;利用差示扫描量热仪(DSC)和热重分析仪(TG)研究了其热分解过程;采用Crystal Explorer 17.5软件计算了化合物2晶体中的氢键对其分子间相互作用力的贡献,并研究了其爆轰与安全性能。结果表明,化合物2属于单斜晶系,空间群为P 2/n,晶胞参数a=6.9296A、b=9.9082A、c=13.3696A、α=90.00°、β=103.51(2)°、γ=90.00°、V=892.54(11)A^(3),其热分解温度为189.7℃,表现出良好的热稳定性;同时化合物2具有优异的爆轰性能和较低的感度,其爆速和爆压分别为8673 m/s和32.5 GPa,摩擦感度和撞击感度分别为112 N和25 J。To obtain high-performance energetic materials,3,5-diamino-1,2,4-triazole was utilized as a raw material to synthesize 3-hydrazinyl-5-amino-1H-1,2,4-triazolium dihydrochloride(compound 1)through diazotization and reduction reactions.A novel energetic ionic salt,3-hydrazinyl-5-amino-1H-1,2,4-triazolium dinitrate(compound 2),was prepared by the metathesis reaction of compound 1 with silver nitrate.The structure of compound 2 was characterized using various techniques including FTIR,NMR,mass spectrometry,elemental analysis,and single-crystal X-ray diffraction.Thermal decomposition of compound 2 was studied by DSC and TG.The contribution of hydrogen bonding to the intermolecular interactions in the crystal of compound 2 was calculated using Crystal Explorer software.The detonation and safety properties of compound 2 were also investigated.The results show that compound 2 belongs to monoclinic crystal system with space group P 2/n and cell parameters a=6.9296A,b=9.9082A,c=13.3696A,α=90.00°,β=103.51(2)°,γ=90.00°,V=892.54(11)A^(3).It exhibits excellent thermal stability with a thermal decomposition temperature of 189.7℃.Furthermore,compound 2 demonstrates outstanding detonation performance and low sensitivity,with detonation velocity and pressure values of 8673 m/s and 32.5 GPa,respectively.The friction sensitivity and impact sensitivity are 112 N and 25 J,respectively.

关 键 词：有机化学 含能离子盐 晶体结构 热分析 爆轰性能 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]