Potassium 5-(dinitromethyl)tetrazolate: a green energetic 3D metal-organic framework (MOF) as a primary explosive with high thermal stability

摘要

Current lead-based primary explosives are toxic, which have to be replaced. In this study, the ligand 5-(dinitromethylene)-4,5-dihydro-1H-tetrazole was obtained by simple one-step synthesis. And potassium 5-(dinitromethyl)tetrazolate, cosisting of two K ions, a tetrazole moiety and a dinitromethyl group, was synthesized by self-assembly at ambient temperature and pressure and then fully characterized to be a new 3D energetic metal-organic framework (MOF). Its amazing properties such as high density (2.13 g cm~(-3)), high thermal stability (T_(dec) = 274 °C), sensitivity (IS = 2 J; FS = 5 N), and calculated superior detonation performance (D = 7259 m s~(-1); P = 23.4 GPa), make the new MOF a successfully candidate as a environmentally acceptable primary explosive.