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Combination of Nitrogen-Rich Skeleton and Coordination Group:Synthesis of a High-Energy primary explosive Based on 1H-Tetrazole-5-Carbohydrazide

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Defence Technology（防务技术） 2024年第1期31卷 271-277页

作者： Tingwei Wang Zujia Lu Shu Bu Baolong Kuang Lu Zhang Zhenxin Yi Kun Wang Shunguan Zhu Jianguo Zhang State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China School of Chemical Engineering Nanjing University of Science and Technology200 Xiaolingwei StreetXuanwuNanjing 210094China Department of Chemistry Laboratory of Structure and Functional Regulation of Hybrid MaterialsAnhui UniversityMinistry of EducationHefei 230601China

The high energy coordination compounds Cu(TZCA)_(2)(ClO_(4))_(2)(ECCs-1) was prepared by 1H-tetrazole-5-carbohydrazide(TZCA) with a high energy skeleton and a strong coordination ability *** the same time,the reaction activity of the ligand was explored,and the single crystal structure of it and intermediate were *** structures of all substances were characterized by IR and *** the structure and composition of ECCs-1 are confirmed by ESP,AC,SEM and *** and chemical properties tests show that ECCs-1 has an acceptable thermal stability(T_(d)=177℃) and extremely sensitive mechanical stimulation(IS=1 J,FS=5 N).The comprehensive performance test results show that ECCs-1 has excellent initiation *** addition,the decomposition mechanism of ECCs-1 is explored from two aspects of experiment and theoretical calculation.

关键词： 1H-tetrazole-5-carbohydrazide primary explosive Decomposition mechanism Coordination polymers Laser

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CPMD study of the energetic complex: Zinc carbohydrazide perchlorate(Zn(CHZ)3(ClO4)2)

CPMD study of the energetic complex: Zinc carbohydrazide per...

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中国化学会第十届全国无机化学学术会议

作者： Kun Wang Chaohua Dai Chen Sun Longjiu Cheng Jinaguo Zhang Tonglai Zhang Department of Chemistry Anhui University State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology

It is always a puzzle about the relationship between the explosive performance and the centre metal in primary explosive. Recently, we apply Car-Parrinello molecular dynamics method to analyse the decomposition process of the zinc carbonhydrazide perchlorate(simplified as Zn(CHZ)(ClO) or ZnCP), which is an environment-friendly and high energetic primary explosive. ZnCP is a superstar in MCP family(M = alkali earth metals, Mn, Fe, Co, Ni, Cu, Zn, Cd) and already applied broadly in recent ten years. The excellent energetic properties are possibly determined by Zn compared with other complexes in MCP series compounds. The electronic structure suggests Zn is a stabilizer in the coordination. In the decomposition, Zn is a catalyst and an anion-carrier in the explosion. It is synergetic oxygen transferring mechanism in the initial decomposition and a stepwise ring-opening mechanism in the middle stage. We explain the total explosion pathways of ZnCP including the deflagration to detonation transition process and the formation pathways of the products of ZnCl, H O, NH, N, N O, CO and CO(Figure 1).

关键词： primary explosive Zinc carbohydrazide perchlorate Carbohydrazide Car-Parallel molecular dynamics

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