高温耐热含能材料双1,2,4-三唑并[1,5-b;5′,1′- f ]-1,2,4,5-四嗪-2,7-二胺的合成与性能研究  

Synthesis and Performances of a High-temperature Heat-resistant Energetic Compound Bis([1,2,4]triazolo)[1,5-b;5′,1′-f][1,2,4,5]tetrazine-2,7-diamine

作　　者：卜晓辰 翟连杰[1,2] 张义迎 常佩 吴灏[1] 王伯周 BU Xiao-chen;ZHAI Lian-jie;ZHANG Yi-ying;CHANG Pei;WU Hao;WANG Bo-zhou(Xi′an Modern Chemistry Research Institute,Xi′an 710065,China;State Key Laboratory of Fluorine&Nitrogen Chemicals,Xi′an 710065,China)

机构地区：[1]西安近代化学研究所,陕西西安710065 [2]氟氮化工资源高效开发与利用国家重点实验室,陕西西安710065

出　　处：《火炸药学报》2023年第11期959-964,I0003,共7页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(No.2227051070,No.22275146)。

摘　　要：以3,6-双(3,5-二甲基吡唑基)-1,2,4,5-四嗪为起始原料,经取代、热解、环化等过程合成了一种超高温耐热含能材料双1,2,4-三唑并[1,5-b;5′,1′-f]-1,2,4,5-四嗪-2,7-二胺(DATC),并经红外光谱、核磁共振光谱、高分辨质谱以及元素分析等进行了结构表征;探讨了3,6-双(1-氢-1,2,3,4-四唑-5-氨基)-1,2,4,5-四嗪(BTATz)热解环化反应机理,开展了热解环化工艺优化研究,初步获得了最佳工艺参数;采用SEM表征了DATC形貌;采用DSC和TGA表征了DATC的热性能;基于密度泛函理论预估了DATC的物化性能与爆轰性能;采用落锤仪和BAM摩擦仪测试了DATC的撞击感度和摩擦感度。结果表明,DATC的理论密度为1.827g/cm^(3)、生成焓为+666.37kJ/mol、热分解峰温为477.9℃(DSC,10℃/min)、理论爆速为7.80km/s、理论爆压为27.3GPa,其撞击感度IS>100J、摩擦感度FS>360N,与RDX、HMX、CL-20、4,8-二(2,4,6-三硝基苯基)双呋咱并吡嗪(TNBP)和PYX等相容性良好。A fused heterocyclic high-temperature heat-resistant compound bis([1,2,4]triazolo)[1,5-b;5′,1′-f][1,2,4,5]tetrazine-2,7-diamine(DATC)was synthesized from 3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine by substitution,thermolysis and cyclization,and its molecule structure was characterized by elemental analysis,IR,NMR and HRMS analysis.The mechanism of 3,6-bis(1H-1,2,3,4-tetrazd-5-ylamino)-1,2,4,5-tetrazine(BTATz)thermolysis and cyclization reaction was discussed,and the optimization of reaction conditions was carried out.The morphology of DATC was characterized by SEM.The thermal performance of DATC was characterized by DSC and TGA and the physicochemical and detonation properties of DATC were estimated based on density functional theory.The impact sensitivity and friction sensitivity of DATC were tested using a drop hammer and BAM friction tester.The results showed that DATC had a theorectical density of 1.827g/cm 3,heat of formation of+666.37kJ/mol,thermal decomposition peak temperature of 477.9℃(DSC,10℃/min),theorectical detonation velocity of 7.80km/s,and theorectical detonation pressure of 27.3GPa.Its impact sensitivity was higher than 100J,and its friction sensitivity was higher than 360N.It was well compatible with RDX,HMX,CL-20,4,8-di(2,4,6-trinitrophenyl)difuzan pyrazine(TNBP)and PYX.

关 键 词：有机化学 超高温耐热含能材料 耐热炸药 DATC 热稳定性 爆轰性能 相容性 

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]