1D Energetic Metal-Organic Framework: Sodium 6-Nitro-5-oxidopyrazolo[3,4-c][1,2,5]oxadiazol-4-ide with Good Thermal Stability

A ladder-like 1D energetic metal-organic framework, sodium 6-nitro-5-oxidopyrazolo[3,4-c][1,2,5]oxadiazol-4-ide was first synthesized from the potassium salt. The sodium salt with an interesting furazan-pyrazole system which is first synthesized by an intramolecular condensation, is fully characterized by crystal X-ray diffraction, elemental analysis, IR spectroscopy. The sodium salt shows a density of 1.88 g cm⁻³, a high decomposition temperature of 258 ^oC, and a promising calculated detonation velocity of 7760 m s⁻¹. It has an impact sensitivity of 16 J which makes it a replacement as a thermally stable energetic material. Besides, the natural compound 6-nitro-4H-pyrazolo[3,4-c][1,2,5]oxadiazole 5-oxide shows the best energetic properties with calculated detonation velocity of 9407 m s⁻¹ and calculated detonation pressure of 40.4 GPa.