含能配位聚合物[Co4(HBTI)4(H2O)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[Co4(HBTI)4(H2O)8]
作者单位E-mail
杨国利 晋中学院化学化工系, 晋中 030619  
李敏 晋中学院化学化工系, 晋中 030619  
李建晴 晋中学院化学化工系, 晋中 030619  
陈勇强 晋中学院化学化工系, 晋中 030619 chenjzxy@126.com 
杨奇 西北大学化学与材料科学学院, 西安 710127 yangqi@nwu.edu.cn 
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[Co4(HBTI)4(H2O)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℃。
关键词: 含能配合物  4,5-双四唑咪唑  爆轰性能  燃烧催化
基金项目: 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)和晋中学院博士科研经费(No.23E00024)资助。
Abstract: Based on the energetic ligand 4,5-bis(tetrazol-5-yl)imidazole (H3BTI), a novel energetic coordination polymer[Co4(HBTI)4(H2O)8] (1) was prepared under hydrothermal conditions. The crystal structure measurement indicates that 1 exhibits a tetranuclear structure with the central ion Co (Ⅱ) adopting octahedral geometry. The non-isothermal 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. Further-more, 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.
Keywords: energetic coordination polymer  4,5-bistetrazole-imidazole  detonation performance  combustion catalysis
投稿时间:2023-05-12 修订日期:2023-09-27
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杨国利,李敏,李建晴,陈勇强,杨奇.含能配位聚合物[Co4(HBTI)4(H2O)8]的合成、结构、爆轰性能及催化性质[J].无机化学学报,2023,39(11):2188-2196.
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Support information: 相关附件:   230177_230177_Supporting_Information.doc