A 3D CuII‐Based Energetic MOF: Synthesis, Structure, and Energetic Performance

A new energetic MOF, [Cu 2 (to)(dns)(H 2 O)] n ( 1 ; H 2 to = 1,2,4‐triazol‐5‐one, H 2 dns = 3,5‐dinitrosalicylic acid), has been synthesized and structurally characterized. Single‐crystal X‐ray diffraction analysis revealed that 1 possesses a compact 3D architecture. Noteworthy, the two oxygen atoms of one nitro coordinate to two Cu II ions in a syn‐anti mode, which decreases its sensitivity but has no influence on its explosive properties. Based on the results of thermogravimetric and differential scanning calorimetry analyses, MOF 1 displays a rapid thermal decomposition process and superior thermostability. The non‐isothermal kinetics of the exothermic process of 1 were studied by the methods of Kissinger and Ozawa. The sensitivity tests and calculated detonation properties show that 1 has the potential to be used in green explosives.