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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Zinc(II) and Cadmium(II) Complexes of 5-Ferrocenyl-1H-tetrazole: Synthesis, Structures, and Catalytic Effects on Thermal Decomposition of Energetic Compounds
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Zinc(II) and Cadmium(II) Complexes of 5-Ferrocenyl-1H-tetrazole: Synthesis, Structures, and Catalytic Effects on Thermal Decomposition of Energetic Compounds

机译：5-二茂铁基-1H-四唑的锌（II）和镉（II）配合物：含能化合物热分解的合成，结构和催化作用

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摘要

Alkyl-substituted ferrocenes as ferrocene-based burning rate (BR) catalysts in composite solid propellants have high migration tendency and strong volatility during processing and long-time storage of the propellants. For developing low-migratory alternatives, zinc(II) and cadmium(II) complexes, [Zn(phen)(3)](FcTz)(2)center dot 9H(2)O (1), [Cd(phen)(2)(H2O)(2)](FcTz)(2) (3), and [Cd(bpy)(2)(FcTz)(2)]center dot H2O (4) (bpy = 2,2'-bipyridine; phen = 1,10-phenanthroline; FcTz = 5-ferrocenyl-1H-tetrazolate), derived from 5-ferrocenyl-1H-tetrazole (HFcTz) were synthesized and structurally characterized. Compound 4 was also studied by density functional theory calculations (DFT). Additionally, a few single-crystals of [Zn(phen)(2)(H2O)(2)](FcTz)(2) (2) suitable for single-crystal X-ray diffraction formed and therefore only its crystal structure was analyzed. The cyclic voltammetry results suggested that 1, 3, and 4 are quasi-reversible redox systems. The TG analysis showed they are of highly thermal stability when their lattice water molecules are not taken into account. Their catalytic performances for thermal decomposition of ammonium perchlorate (AP), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX), and 1,2,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) were accessed by DSC/TG techniques. Their optimum contents in AP, RDX, and HMX are 5 wt-%, 5 wt-%, and 2 wt-%, respectively. They exhibit highly catalytic activities in thermal degradation of AP and RDX.
机译：烷基取代的二茂铁作为复合固体推进剂中基于二茂铁的燃烧速率（BR）催化剂，在推进剂的加工和长期存储过程中具有较高的迁移趋势和较强的挥发性。对于开发低迁移率的替代品，锌（II）和镉（II）配合物，[Zn（phen）（3）]（FcTz）（2）中心点9H（2）O（1），[Cd（phen）（ 2）（H2O）（2）]（FcTz）（2）（3）和[Cd（bpy）（2）（FcTz）（2）]中心点H2O（4）（bpy = 2,2'-联吡啶;合成; phen ＝ 1，10-菲咯啉; FcTz ＝ 5-二茂铁基-1H-四唑（HFcTz）衍生的5-铁茂铁基-1H-四唑酸酯。还通过密度泛函理论计算（DFT）研究了化合物4。此外，形成了一些适合单晶X射线衍射的[Zn（phen）（2）（H2O）（2）]（FcTz）（2）（2）单晶，因此仅分析了其晶体结构。循环伏安法结果表明1、3和4是准可逆氧化还原系统。 TG分析表明，当不考虑晶格水分子时，它们具有很高的热稳定性。它们对高氯酸铵（AP），1,3,5-三硝基-1,3,5-三氮杂环己烷（RDX）和1,2,5,7-四硝基-1,3,5,7的催化性能通过DSC / TG技术获得-四氮杂环辛烷（HMX）。它们在AP，RDX和HMX中的最佳含量分别为5 wt％，5 wt％和2 wt％。它们在AP和RDX的热降解中表现出很高的催化活性。

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