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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >In situ synthesized 3D heterometallic metal-organic framework (MOF) as a high-energy-density material shows high heat of detonation, good thermostability and insensitivity
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In situ synthesized 3D heterometallic metal-organic framework (MOF) as a high-energy-density material shows high heat of detonation, good thermostability and insensitivity

机译:作为高能量密度材料的原位合成3D杂金属金属有机骨架(MOF)显示出高的爆轰热,良好的热稳定性和不敏感性

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摘要

A reticular 3D heterometallic metal-organic framework (MOF), [Cu4Na(Mtta)(5)(CH3CN)](n) (1) (N% = 40.08%), has been synthesized, using a 5-methyl tetrazole (Mtta) ligand formed from acetonitrile and azide, through in situ synthesis and structurally characterized by X-ray single crystal diffraction. The fluorescence spectra demonstrate that 1 undergoes an interesting structural transformation in aqueous solution, yielding the compound [Cu4Na(Mtta)(5)H2O](n) (1a) as confirmed by H-1 NMR, IR and PXRD. Thermoanalysis showed that 1 possesses excellent thermostability up to 335 degrees C. The calculated detonation properties and the sensitivity test illustrate that compound 1 could be used as a potential explosive. In addition, the non-isothermal kinetics for 1 were studied using the Kissinger and Ozawa-Doyle methods. The enthalpy of formation was obtained from the determination of the constant-volume combustion energy.
机译:使用5甲基四唑(Mtta)合成了网状3D杂金属金属有机骨架(MOF)[Cu4Na(Mtta)(5)(CH3CN)](n)(1)(N%= 40.08%) )由乙腈和叠氮化物形成的配体,通过原位合成并通过X射线单晶衍射进行结构表征。荧光光谱表明1在水溶液中进行了有趣的结构转变,生成化合物[Cu4Na(Mtta)(5)H2O](n)(1a),经H-1 NMR,IR和PXRD证实。热分析表明,1在高达335℃的温度下具有出色的热稳定性。计算的爆震性能和敏感性测试表明,化合物1可用作潜在的炸药。此外,使用Kissinger和Ozawa-Doyle方法研究了1的非等温动力学。通过确定恒定体积的燃烧能获得形成焓。

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