| 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] |
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| 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 |
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