Bimetallic–Organic Framework as a Zero‐Leaching Catalyst in the Aerobic Oxidation of Cyclohexene

Abstract A gallium 2,2′‐bipyridine‐5,5′‐dicarboxylate metal–organic framework (MOF), denoted as COMOC‐4, has been synthesized by solvothermal synthesis. This MOF exhibits the same topology as MOF‐253. CuCl 2 was incorporated into COMOC‐4 by a post‐synthetic modification (PSM). The spectroscopic absorption properties of the MOF framework before and after PSM were compared with theoretical data obtained by employing molecular dynamics combined with time‐dependent DFT calculations on both the as‐synthesized and functionalized linker. The catalytic behavior of the resulting Cu 2+ @COMOC‐4 material was evaluated in the aerobic oxidation of cyclohexene with isobutyraldehyde as a co‐oxidant. In addition, the catalytic performance of Cu 2+ @COMOC‐4 was compared with that of the commercially available Cu‐BTC (BTC=benzene‐1,3,5‐tricarboxylate) MOF. Cu 2+ @COMOC‐4 exhibits a good cyclohexene conversion and an excellent selectivity towards cyclohexene oxide in comparison to the Cu‐based reference catalyst. Furthermore, no leaching of the active Cu sites was observed during at least four consecutive runs.