A series of non-metal and high-efficiency PENDIs with hydrogen bond donor, which were prepared by condensation reaction of β-diketone and imine, are used for cycloaddition of CO₂ and epoxides. The influences of different structure of catalysts and hydrogen bonds on catalytic performance were studied by experiments and density functional theory. The results showed that PENDIs which possess -OH of β-diketone and -NH- exhibit excellent catalytic performance for cycloaddition of CO₂ and epichlorohydrin, and the record yield is 97.26 %. The single factor investigation and response surface methodology were used for obtaining optimal reaction conditions of PENDIs. A possible mechanism for CO₂ cycloaddition that catalyzed by PENDIs is proposed, it includes epoxide adsorption, ring-opening of epoxide, CO₂ insertion and the formation of cyclic carbonate. It is proved that the synergy between -OH of β-diketone and -NH- can promote the catalytic performance of PENDIs for CO₂ cycloaddition.

β-二酮与亚胺缩合反应制备的一系列非金属高效氢键供体PENDI用于CO ₂与环氧化物的环加成反应。通过实验和密度泛函理论研究了不同结构的催化剂和氢键对催化性能的影响。结果表明，具有β-二酮的-OH和-NH-的PENDI对CO ₂和环氧氯丙烷的环加成反应表现出优异的催化性能，收率为97.26%。采用单因素研究和响应面法获得PENDI的最佳反应条件。CO _{2的可能机制}提出了PENDI催化的环加成反应，包括环氧化物的吸附、环氧化物的开环、CO ₂的插入和环状碳酸酯的形成。证明β-二酮的-OH与-NH-的协同作用可以促进PENDI对CO ₂环加成的催化性能。