C—N键联唑类高氮含能化合物1-(1H-1,2,4-三唑-3-基)-1H-四唑金属盐的合成与性能  

Synthesis and Properties of C—N linked Azole-based High-Nitrogen Energetic Compound:Metal Salts Based on the 1-(1H-1,2,4-Triazole-3-yl)-1H-tetrazole

作　　者：吴乐 何飘 梅豪正 张建国[1] WU Le;HE Piao;MEI Hao-zheng;ZHANG Jian-guo(State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology,Beijing 100081,China)

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》2018年第11期951-957,共7页Chinese Journal of Energetic Materials

基　　金：国家自然基金委与中国工程物理院联合基金(10776002)

摘　　要：通过C—N键联唑类高氮含能化合物1(?1H?1,2,4?三唑?3?基)?1H?四唑分别与相应的氢氧化物或碳酸盐反应,合成了7种未见报道的1(?1H?1,2,4?三唑?3?基)?1H?四唑金属盐。利用元素分析、红外光谱、质谱等对其结构进行了表征,首次培养得到了其中5种金属盐的单晶,测试了其晶体结构。运用差示扫描量热分析(DSC)研究了该系列金属盐的热稳定性,大部分金属盐均具有较好的热稳定性,其中锂盐脱水后的热分解温度最高(258℃)。利用等键反应计算了部分金属盐的生成焓,其中两种金属盐的生成焓高于1000 k J·mol^(-1)。运用EXPLO5软件估算其爆炸性能,并测试了撞击感度和摩擦感度,结果表明该系列金属盐属于钝感含能材料。Seven metal salts based on the 1-(1H-1,2,4-triazole-3-yl)-1H-tetrazole were synthesized firstly by using the reaction with related hydroxide or carbonate.They are characterized by using EA,IR,NMR technologies.And X-ray single crystals of five metal salts were obtained.The thermal stability of the metal salts was studied by DSC.Most of them have good thermal stability after the water molecular was lost,and the decomposition temperature of lithium salts is highest with a value of 258℃.The enthalpy of formation was calculated by the isometric reaction method.The enthalpy of formation of two metal salts are higher than 1000 kJ·mol^-1.The detonation performance was estimated by using EXPLO5 software,and the impact sensitivity and friction sensitivity were tested.The results show that these metal salt are insensitive energetic materials.

关 键 词：1-(1H-1 2 4-三唑-3-基)-1H-四唑 金属盐 晶体结构 热稳定性 爆炸性能 

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]