Synthesis,Structures And Physicochemical Properties For Energetic Compounds Based On 4,5-bis (1H-tetrazole)-1H-imidazole

This paper focuses on the synthesis of energetic materials with high energy and insensitiveness from the perspective of coordination chemistry.Based on the energy ligand 4,5-bis?1H-tetrazole?-1H-imidazole?abbreviation for H3BTI?,eight energetic compounds: [Co4?HBTI?4?H₂O?8]n?1?,[Mn?H₂BTI?2?H₂O?2]n?2?,{[Ag?H3BTI??H₂O?]·?NO3??H₂O?}n?3?,[Pb?HBTI?]n?4?,[Zn?H₂BTI?2?H₂O?2]n?5?,[Zn₄?HBTI?4?H₂O?8]n?6?,[Cu?HBTI??H₂O?2]n?7?and [Cu?H₂BTI??NO3?]n?8?were synthesized by the solvent evaporation and hydro/solvethermal methods.In addition,the structures and physicochemical properties of all the compounds were studied and discussed.The main research contents are as follows:?1?The structures of energetic compounds 1-8 were detected and analyzed by X-ray single crystal diffraction and X-ray powder diffraction.The analysis results showed that incorporating H3 BTI ligand can twist to some extent under high temperature and acidic conditions.The ligand and metal ions self-assembled by bridging and chelating coordination modes,which shows strong coordination ability.The stability of the structures is further strengthened by hydrogen bonds.?2?The thermal decomposition behaviors of the compounds 1-8 were studied by the TGDSC analysis.The decomposition temperature of compounds ranges from 274 to 368 ?,which are higher than explosive RDX?210 ??and show favorable thermly stability.The compounds 4 and 8 have undergone one step weightlessness and the decomposition temperature reached 339 ? and 274 ?,respectively.Based on the Kissinger's and the Ozawa-doyle's method,the Non-isothermal kinetic study was carried out to calculate the apparent activation energy of compounds1-8?the corresponding values are 137.575,168.705,99.83,248.51,166.64,61.395,77.99 and 173.93 k J?mol-1?.?3?The constant volume combustion were measured by oxygen bomb calorimeter,which were used to calculate the standard molar enthalpy of formation.Besides,the heat of detonation,detonation velocity and detonation pressure were respectively estimated.It is noteworthy that the detonation performance of compounds 6 and 8 are superior.Sensitivity measurement showed that target compounds were insensitive to both impact and friction stimuli.Furthermore,all the compounds can accelerate the thermal decomposition of RDX at different levels.The catalytic effect of compounds 1,4,7 and 8 on AP were obvious,while the catalytic effect of compounds 4,5,6 and 8 on RDX were obvious.