铁加氧酶能够活化氧气氧化生物有机底物，为生物体的新陈代谢和生长提供必要的物质。近年来，人们对铁加氧酶的活性中心结构和功能的研究不断深入，许多模型配合物在一定程度上模拟了生物酶的氧化功能，利用氧气在温和条件下，实现了对烷烃、烯烃等底物的高效选择性氧化，从而提升了铁加氧酶仿生催化氧化的研究水平，对于改进和提升现有的氧化工艺具有重要的意义。然而，非血红素铁加氧酶的研究作为一个新兴方向，许多氧化中间物种的结构和作用机制等关键科学问题依然悬而未决，其氧化效率还有待于进一步提高。本项目以本课题组已有的“双核铁硫簇”催化体系为基础，以构筑新型仿生化学模拟加氧酶体系以及催化功能为目标，通过设计合成新型双核铁硫簇配合物，利用双/多核金属间的协同作用，研究氧气在双金属上配位活化模式和作用机理；通过对新型铁硫簇配合物的结构与氧化性能关系的研究，筛选和优化反应条件，最终实现氧气的高效仿生催化氧化功能。

Iron oxygenase can utilize the dioxygen to oxidize the specific biological substrates, providing the necessary materials for the metabolism of the organism. Recently, with the constant study of the structure and function of the active center of iron oxygenase，many model complexes reappear the function of oxygenase to a certain extent, efficiently oxidizing alkanes, alkenes substrates by dioxygen under mild conditions, which promote the research field of biomimetic catalytic oxidation of iron oxygenase and is a long-term significance in the research of biomimetic catalytic oxidation for the improvement and update of the existing oxidation process. However, the structures of some oxidation intermediates of iron oxygenase are not very clear and the oxidation efficiency needs to be improved. This project is built on the "diiron sulfur clusters" catalytic system which is our long-term research field with the goal of constructing a novel biomimic iron oxygenase model system. We try to design a series of diiron sulfur complexes and study the condination and activition to realize the activation and conversion pattern of dioxygen on the diiron core by the synergistic action betwwen/among metals. Then, we get by the study of the structures and reactivities, the selecting and optimizing of reactions to realize the activation and conversion of dioxygen efficently.