Construction of a Thermally Stable and Highly Energetic Metal–Organic Framework as Lead-Free Primary Explosives

Two energetic compounds, 4,8-dinitraminodifurazano[3,4-b,e]pyrazine (1) and its potassium-based energetic metal–organic framework (E-MOF) (2), were prepared, and their crystal structures were confirmed by single-crystal X-ray diffraction analysis. Compound 1 cocrystallizes with water molecules and shows a three-dimensional (3D) sandwich-like supramolecular structure, which is rare in the known energetic organic compounds. Compound 2 has a pillared layered structure with a pcu topology. The layered structure in the 3D framework featuring sql topology was constructed from inorganic chains {K2O} and nitroamine groups. The crystal density of 2 is up to 2.114 g cm–3. This potassium-based E-MOF shows high thermal stability, high detonation velocity, and high impact and friction sensitivities, which make it a potential high-performing primary explosive.