3D solvent-free energetic metal–organic framework (EMOF) achieved by removing inclusion molecules from a new coordination polymer

The reaction of CuCl and NaN3 with 4,4′-azo-1,2,4-triazol-5-one (H2ZTO) under solvothermal conditions produced a new 3D heteronuclear Cu(I)-Na(I) energetic metal–organic framework (EMOF), [Cu3Na(ZTO)2]n·nCH3CN (1). Compound 1 underwent a heating–desolvation process that resulted in a new stable solvent-free EMOF, [Cu3Na(ZTO)2]n (2), with a nitrogen content of 37.22%. The heat of detonation found for compounds 1 and 2 were 1.67 kcal g−1 and 1.71 kcal g−1, respectively. Compound 2 exhibits a higher thermal stability, and is insensitive to external stimuli. The non-isothermal kinetic and apparent thermodynamic parameters for the exothermic decomposition process of 2 were determined using Kissinger's and Ozawa's methods.