含能配位聚合物[Co_(4)(HBTI)_(4)(H_(2)O)_(8)]的合成、结构、爆轰性能及催化性质  

Synthesis,structure,detonation performance,and catalytic property of energetic coordination polymer[Co_(4)(HBTI)_(4)(H_(2)O)_(8)]

作　　者：杨国利 李敏[1] 李建晴[1] 陈勇强 杨奇[2] YANG Guo-Li;LI Min;LI Jian-Qing;CHEN Yong-Qiang;YANG Qi(Department of Chemistry and Chemical Engineering,Jinzhong University,Jinzhong,Shanxi 030619,China;College of Chemistry and Materials Science,Northwest University,Xi′an 710127,China)

机构地区：[1]晋中学院化学化工系,晋中030619 [2]西北大学化学与材料科学学院,西安710127

出　　处：《无机化学学报》2023年第11期2188-2196,共9页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金(No.22173072);山西省高校科技创新项目(No.2022L502);山西省应用基础研究计划资助项目(No.202103021224307,20210302124461);晋中学院博士科研经费(No.23E00024)资助。

摘　　要：我们以4,5‐双四唑咪唑(H3BTI)为能量配体,利用水热法构筑了一例新型含能配合物[Co_(4)(HBTI)_(4)(H_(2)O)_(8)](1)。晶体结构测定表明配合物1呈中心对称的四核结构,中心离子Co(Ⅱ)呈六配位的八面体几何构型。此外,结合Kissinger和Ozawa‐Doyle两种方法对1进行非等温热动力学分析,并基于密度泛函理论计算出1的爆轰性能相关参数。配合物1的摩擦感度高于360 N,且撞击感度高于40 J。配合物1可同时催化高氯酸铵(AP)和1,3,5‐三硝基‐1,3,5‐三嗪烷(RDX)的燃烧分解反应,其分解温度分别提前了25和11℃。Based on the energetic ligand 4,5-bis(tetrazol-5-yl)imidazole(H3BTI),a novel energetic coordination polymer[Co_(4)(HBTI)_(4)(H_(2)O)_(8)](1)was prepared under hydrothermal conditions.The crystal structure measurement indicates that 1 exhibits a tetranuclear structure with the central ion Coadopting octahedral geometry.The nonisothermal kinetic parameters of 1 were determined using two different methods including Kissinger and Ozawa-Doyle.Through the density functional theory(DFT)calculation,its explosive performance was further conducted.Additionally,its friction sensitivity and impact sensitivity were larger than 360 N and 40 J,respectively.Furthermore,during the combustion decomposition process,compound 1 could effectively advance the decomposition temperature of ammonium perchlorate(AP)and 1,3,5-trinitro-1,3,5-triazacyclohexane(RDX)by 25 and 11℃,respectively.CCDC:1529532.

关 键 词：含能配合物 4 5‐双四唑咪唑 爆轰性能 燃烧催化 

分 类 号：O614.812[理学—无机化学]