两种三唑四嗪含能化合物PTTz和DPTTz的结构、热行为和热安全性  

Two Triazole Tetrazine Energetic Compounds:Crystal Structure, Thermal Behavior and Thermal Safety of PTTz and DPTTz

作　　者：马海霞[1] 张婉婷 陈湘[1] 张聪[1] 孙亚鹏 马艳玮 MA Haixia;ZHANG Wanting;CHEN Xiang;ZHANG Cong;SUN Yapeng;MA Yanwei(Schoolof Chemical Engineering,Northwest University&ShaanxiXi'an 710069,China)

机构地区：[1]西北大学化工学院,陕西西安710069

出　　处：《河北师范大学学报（自然科学版）》2020年第3期234-242,共9页Journal of Hebei Normal University：Natural Science

基　　金：国家自然科学基金(21673179);大学生创新创业训练计划项目(201910697025)。

摘　　要：以3,6-双(3,5-二甲基吡唑)-1,2,4,5-四嗪(BT)和3-氨基-1,2,4-三唑为原料,合成了6-(1H-吡唑)-N-(1H-1,2,4-三唑)-1,2,4,5-四嗪-3-氨(PTTz)和6-(3,5-二甲基吡唑)-N-(1H-1,2,4-三唑)-1,2,4,5-四嗪-3-氨(DPTTz)2种新型高氮化合物,并培养出DPTTz分子的单晶,通过X射线单晶衍射仪确定其晶体结构.结果表明:DPTTz晶体属单斜晶系,空间群为P21/n,分子中含有1分子的结晶水.采用差示扫描量热法与热重-微分热重法得到所合成2种化合物的DSC与TG-DTG曲线,研究了其热分解行为;同时,利用Flynn-Wall-Ozawa,Kissinger-Akahira-Sunose,Starink,Kissinger-迭代及Ozawa-迭代等方法计算得到其热分解动力学参数,之后,对其热安全性进行了评估.热安全性研究表明,DPTTz的自加速分解温度(TSADT)、热点火温度(Tbe)、热爆炸临界温度(Tbp)均高于PTTz,因此,DPTTz的热安全性能更好.The 3,6-bis(3,5-dimethylpyrazole)-1,2,4,5-tetrazine(BT) and 3-amino-1,2,4-triazole were used as raw materials to synthesize two new high-nitrogen compounds,which are 6-(1 H-pyrazole)-N-(1 H-1,2,4-triazole)-1,2,4,5-tetrazine-3-amino(PTTz) and 6-(3,5-dimethylpyrazole)-N-(1 H-1,2,4-triazole)-1,2,4,5-tetrazine-3-amino(DPTTz).Thereafter,the single crystal of DPTTz was cultivated and crystal structure was determined.The results showed that DPTTz crystallized in space group P21/n of monoclinic system one crystalline water molecule in crystal structure.The differential scanning calorimetry(DSC) and thermogravimetry(TG) were carried out to study the thermal behavior of two compounds.The non-isothermal decomposition kinetic parameters were calculated by Flynn-Wall-Ozawa,Kissinger-Akahira-Sunose,Starink,Kissinger-Iteration and Ozawa-Iteration methods.After that,the thermal safety parameters were evaluated and the results showed that the self-accelerated decomposition temperature(TSADT),thermal ignition temperature(Tbe),and thermal explosion critical temperature(Tbp) of DPTTz were all higher than those of PTTz,which revealed that the thermal safety of DPTTz was better than PTTz.

关 键 词：四嗪类含能化合物 合成 晶体结构 热行为 

分 类 号：O64[理学—物理化学] Tj55[理学—化学]