title: In situ synthesized 3D heterometallic metal-organic framework (MOF) as a high-energy-density material shows high heat of detonation, good thermostability and insensitivity.
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.
authors.affiliation: 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.
authors.forename: Yaya
authors.initials: Y
authors.lastname: Feng
authors.forename: Xiangyu
authors.initials: X
authors.lastname: Liu
authors.forename: Linqiang
authors.initials: L
authors.lastname: Duan
authors.forename: Qi
authors.initials: Q
authors.lastname: Yang
authors.forename: Qing
authors.initials: Q
authors.lastname: Wei
authors.forename: Gang
authors.initials: G
authors.lastname: Xie
authors.forename: Sanping
authors.initials: S
authors.lastname: Chen
authors.forename: Xuwu
authors.initials: X
authors.lastname: Yang
authors.forename: Shengli
authors.initials: S
authors.lastname: Gao