In situ synthesized 3D heterometallic metal-organic framework (MOF) as a high-energy-density material shows high heat of detonation, good thermostability and insensitivity

A reticular 3D heterometallic metal-organic framework (MOF), [Cu4Na(Mtta)5(CH3CN)]n () (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 f...

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Bibliographic Details
Published in:Dalton transactions : an international journal of inorganic chemistry 2015-02, Vol.44 (5), p.2333-2339
Main Authors: Feng, Yaya, Liu, Xiangyu, Duan, Linqiang, Yang, Qi, Wei, Qing, Xie, Gang, Chen, Sanping, Yang, Xuwu, Gao, Shengli
Format: Article
Language:English
Subjects:
Combustion
Detonation
Diffraction
Fluorescence
Metal-organic frameworks
Thermal analysis
Thermal stability
Three dimensional
Transformations
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Summary:A reticular 3D heterometallic metal-organic framework (MOF), [Cu4Na(Mtta)5(CH3CN)]n () (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 undergoes an interesting structural transformation in aqueous solution, yielding the compound [Cu4Na(Mtta)5H2O]n () as confirmed by (1)H NMR, IR and PXRD. Thermoanalysis showed that possesses excellent thermostability up to 335 °C. The calculated detonation properties and the sensitivity test illustrate that compound could be used as a potential explosive. In addition, the non-isothermal kinetics for were studied using the Kissinger and Ozawa-Doyle methods. The enthalpy of formation was obtained from the determination of the constant-volume combustion energy.
ISSN:1477-9226
1477-9234
DOI:10.1039/c4dt03131h