Synthesis and Properties Characterization of Energetic Metal-organic Framework [Ag2(HOBTT)]n.

A new energetic metal-organic framework, [Ag2 (HOBTT)]n, was prepared by solvothermal method using 4, 5-bis (1-hydroxy-tetrazol)-1,2,3-triazole (H3OBTT) as ligand and Ag( I ) as metal center. The structure was characterized by single crystal X-ray diffraction (SXRD), powder X-ray diffraction (PXRD), infrared spectroscopy (IR) and elemental analysis (EA) . The thermal stability was studied by differential scanning calorimeter (DSC) and thermogravimetric (TG) analyzer. The non-isothermal kinetic parameters of thermal decomposition were calculated by Kissinger's method. The mechanical sensitivities of [Ag2 (HOBTT)]n were investigated by impact sensitivity meter and friction sensitivity meter. The GGA-PBE functional was used to calculate the detonation heat, and the detonation velocity and detonation pressure were obtained by Kamlet-Jacobs equation. The results show that [Ag2 (HOBTT)]n is a three-dimensional solvent-free framework, belonging to the orthorhombic crystal system and Fddd space group with crystal density of 3. 309 g/cm3 . The initial thermal decomposition temperature of [Ag2 (HOBTT)]n is 586. 6K, corresponding thermal decomposition kinetic parameters Ea = 255. 18kJ/mol and ln(/\/s-1 ) = 43. 30. Its impact sensitivity is greater than 40J, friction sensitivity is 108N, detonation velocity and detonation pressure are 9.73km/s and 56.38GPa, respectively, showing that [Ag2 (HOBTT)]n is a kind of promising energetic material with good thermal stability,moderate mechanical sensitivity,and excellent detonation performance. [ABSTRACT FROM AUTHOR]