Three-dimensional solvent-free Cu(I)-based metal–organic framework coordinated by 1,2,4-triazole derivative and its thermal decomposition kinetics

A solvent-free metal–organic framework (MOF) [Cu₃(CN)₃(dtb)]_n (1) was hydrothermally constructed depending on 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl (dtb) and structural characterization was carried out through single crystal X-ray diffraction analysis. Compound 1 reveals an interpenetrated three-dimensional (3D) framework architecture by Cu6(CN)6 rings and dtb ligands, resulting in a fascinating configuration. 1 displays very high thermal stability with the thermal decomposition temperature up to 301 °C and the research on non-isothermal kinetics was conducted at different heating rates through adopting Kissinger’s and Ozawa-Doyle’s methods. Remarkably, the kinetic triplets (the apparent activation energy E_a, the preexponential factor logA and the mechanism function ƒ(α)) and the related thermodynamic parameters (the Gibbs energy of activation ∆G^≠, the enthalpy of activation ∆H^≠ and the entropy of activation ∆S^≠) are discussed and calculated in detail.

A solvent-free 3D MOF based on 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl presents high thermal stability and its thermal decomposition kinetics was investigated.