Dual ligand 3D MOF {[Co(BDC)(L)]·2H₂O.xG}_n (CoMOF-2; G = guest) was synthesized via simple room temperature stirring method. Bulk Phase purity of CoMOF-2 was assessed by various physicochemical methods including X‐ray diffraction (XRD). CO₂ adsorption isotherms indicate that activated CoMOF-2 is efficient in CO₂ uptake, which has been utilized for the CO₂-Epoxide cycloaddition. The catalytic ability of CoMOF-2 as a binary catalyst revealed excellent results for variety of monosubstituted epoxide under solvent‐free conditions (1 bar/40 °C/12 h). Interestingly CoMOF-2/KI also showed great potential as a heterogeneous catalyst for disubstituted epoxide (10 bar/120 °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.

通过简单的室温搅拌法合成了双配位体3D MOF {[Co（BDC）（L）]·2H ₂ O.xG} _n（CoMOF-2 ; G = guest）。CoMOF-2的体相纯度通过各种物理化学方法（包括X射线衍射（XRD））进行了评估。CO ₂吸附等温线表明，活化的CoMOF-2是在CO高效₂的吸收，已被用于将CO ₂ -Epoxide环加成。CoMOF-2的催化能力作为二元催化剂，在无溶剂条件下（1 bar / 40°C / 12 h），各种单取代的环氧化物均具有优异的结果。有趣的是，CoMOF-2 / KI还显示出作为双取代环氧化物的非均相催化剂（10 bar / 120°C / 24 h）的高潜力/高收率/选择性。与较早的报道相比，本研究对很少探索的二取代的环氧化物的催化效率更好/与之相当，并且催化剂的可回收性是附加的优点。推导了催化反应的可能机理，并通过DFT计算验证了CO _2-环己烷氧化物（CHO）的环加成反应的典型能谱。