CO2 fixation by cycloaddition of mono/disubstituted epoxides using acyl amide decorated Co(II) MOF as a synergistic heterogeneous catalyst

Dual ligand 3D MOF {[Co(BDC)(L)]center dot 2H(2)O.xG}. (CoMOE-2; G = guest) was synthesized via simple room temperature stirring method. Bulk Phase purity of CoMOE-2 was assessed by various physicochemical methods including X-ray diffraction (XRD). CO2 adsorption isotherms indicate that activated CoMOE-2 is efficient in CO2 uptake, which has been utilized for the CO2-Epoxide cycloaddition. The catalytic ability of CoMOE-2 as a binary catalyst revealed excellent results for variety of monosubstituted epoxide under solvent-free conditions (1 bar/40 degrees C/12 h). Interestingly CoMOE-2/KI also showed great potential as a heterogeneous catalyst for disubstituted epoxide (10 bar/120 degrees C/24 h) with high yields/selectivity. The catalytic efficiency of the present investigation for scantly explored disubstituted epoxide is better/on par with the earlier reports and the recyclability of the catalyst is an added advantage. Probable mechanism for the catalytic reaction is deduced and verified the representative energy profile for cycloaddition of CO2-Cyclohexane oxide (CHO) by DFT calculation.