【摘要】 二氧化碳（CO₂）和环氧化合物环加成为环状碳酸酯是CO₂资源化利用最为有效的方式之一，开发简单高效的催化剂是其中的关键。本研究发现二氨基马来腈（DAMN）协同碘化钾（KI）可有效地催化该环加成反应。用2%DAMN组合2%KI作催化剂，在120℃和1 MPa下催化CO₂和环氧丙烷（PO）环加成反应，反应3h，产率可达95.1%,DAMN和KI之间存在协同作用。DAMN/KI还可以有效地催化二氧化碳和其他环氧化合物的环加成反应。基于实验结果和密度泛函理论计算提出了可能的反应机制。更多还原

【Abstract】 The cycloaddition reaction of carbon dioxide with epoxides to synthesize the cyclic carbonate is one of the most effective methods for fixing carbon dioxide. It is the key to develop the simple and highly effective catalyst for this cycloaddition. In this work, it is found that diaminomaleonitrile(DAMN) combined with potassium iodide(KI) can effectively catalyze the cycloaddition reaction. The yield of propylene carbonate(PC)can reach 95.1% when 2% DAMN and 2% KI were used to catalyze the cycloaddition of carbonate dioxide with propylene oxide(PO) under 120 ℃ and 1 MPa for 3 h. A synergistic effect can be observed between KI and DAMN. DAMN/KI can also catalyze the cycloaddition of carbon dioxide with other epoxides. Based on the experimental and density functional theory(DFT) results, the reaction mechanism was proposed.更多还原