Multifunctional organic polymer materials are supposed to be the most promising catalysts in the utilization of carbon dioxide (CO₂) to five-membered cyclic carbonates (5CCs). Herein, functional one dimensional (1D) organic polymer materials (1D-UCP and 1D-UP) were successfully synthesized and their structural features were thoroughly characterized by FT-IR, ¹³C CP MAS NMR, SEM, TGA and XPS spectroscopy. These materials showed excellent reaction performance in the CO₂ cycloaddition reaction. Notably, the 1D-UCP decorated by crown ether group and urea unit simultaneously showed excellent yields of 5CCs under solvent-free conditions and low pressure of CO₂. The outstanding performance was attributable to the synergistic effect of activated KI by coordinating with crown ether fragment and urea unit as hydrogen bonding donor facilitating implementation of speed-determined step of this reaction. In combination with density functional theory (DFT) calculations including intermediates structure optimization and transition states free energy profile, a possible catalytic mechanism was proposed that the urea group accelerated the reaction by vicinal dual hydrogen bonding and increasing nucleophilicity of I anion.

多功能有机高分子材料被认为是利用二氧化碳（CO ₂）制备五元环状碳酸酯（5CCs）的最有前景的催化剂。在此，成功合成了功能性一维 (1D) 有机聚合物材料（1D-UCP 和 1D-UP），并通过 FT-IR、¹³ C CP MAS NMR、SEM、TGA 和 XPS 光谱对其结构特征进行了全面表征。这些材料在CO ₂环加成反应中表现出优异的反应性能。值得注意的是，由冠醚基团和尿素单元修饰的 1D-UCP 在无溶剂和低压 CO ₂条件下同时表现出优异的 5CC 产率. 优异的性能归因于活化 KI 通过与冠醚片段和尿素单元作为氢键供体的协同作用，促进了该反应的速度决定步骤的实施。结合包括中间体结构优化和过渡态自由能分布在内的密度泛函理论 (DFT) 计算，提出了一种可能的催化机制，即尿素基团通过邻位双氢键和增加 I 阴离子的亲核性来加速反应。