A novel 3D energetic MOF of high energy content: synthesis and superior explosive performance of a Pb(II) compound with 5,5′-bistetrazole-1,1′-diolate

The development of high-performance insensitive energetic materials is important because of the increasing demand for these materials in military and civilian applications. A novel 3D energetic metal–organic framework (MOF) of exceptionally high energy content, [Pb(BTO)(H2O)]n, was synthesized and structurally characterized by single crystal X-ray diffraction, featuring a three-dimensional parallelogram porous framework, where BTO represents 5,5′-bistetrazole-1,1′-diolate. The thermal stability and energetic properties were determined, exhibiting good thermostability (Td = 309.0 °C), excellent detonation pressure (P) of 53.06 GPa, a detonation velocity (D) of 9.204 km s−1, and acceptable sensitivity to confirmed impact (IS = 7.5 J). Notably, the complex possesses unprecedented superior density than the reported energetic MOFs. The results highlight this new MOF as a potential energetic material.