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

Yaya Feng; Xiangyu Liu; Linqiang Duan; Qi Yang; Qing Wei; Gang Xie; Sanping Chen; Xuwu Yang; Shengli Gao

doi:10.1039/c4dt03131h

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

Dalton Trans. 2015 Feb 7;44(5):2333-9. doi: 10.1039/c4dt03131h.

Authors

Yaya Feng¹, Xiangyu Liu, Linqiang Duan, Qi Yang, Qing Wei, Gang Xie, Sanping Chen, Xuwu Yang, Shengli Gao

Affiliation

¹ Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710069, China. sanpingchen@126.com.

PMID: 25534462
DOI: 10.1039/c4dt03131h

Abstract

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.