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Synthesis, structure, detonation performance, and catalytic property of energetic coordination polymer[Co4(HBTI)4(H2O)8]
Author NameAffiliationE-mail
YANG Guo-Li Department of Chemistry and Chemical Engineering, Jinzhong University, Jinzhong, Shanxi 030619, China  
LI Min Department of Chemistry and Chemical Engineering, Jinzhong University, Jinzhong, Shanxi 030619, China  
LI Jian-Qing Department of Chemistry and Chemical Engineering, Jinzhong University, Jinzhong, Shanxi 030619, China  
CHEN Yong-Qiang Department of Chemistry and Chemical Engineering, Jinzhong University, Jinzhong, Shanxi 030619, China chenjzxy@126.com 
YANG Qi College of Chemistry and Materials Science, Northwest University, Xi'an 710127, China yangqi@nwu.edu.cn 
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
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YANG Guo-Li,LI Min,LI Jian-Qing,CHEN Yong-Qiang,YANG Qi.Synthesis, structure, detonation performance, and catalytic property of energetic coordination polymer[Co4(HBTI)4(H2O)8][J].Chinese Journal of Inorganic Chemistry,2023,39(11):2188-2196.
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Chinese Journal of Inorganic Chemistry