CCC型pincer配合物在小分子活化和转化中的应用探索

pincer配合物因在小分子活化和转化领域中具有广泛的应用前景而备受关注。而CCC型pincer配合物由于缺乏通用且简便的合成路线且结构种类匮乏、反应性研究不足，因此相关的应用研究很少。目前，尚无其应用于小分子活化领域的研究报道。但是一些具有芳香性的CCC型pincer配合物已初步展示了独特的物理化学性质：良好的稳定性、易修饰、化学反应活性高、可拓展性强。本项目拟利用本组在金属杂环化学领域累积的丰富基础，探索CCC型pincer配合物促进的小分子的活化和转化反应。通过研究CCC型pincer配体-金属-小分子底物之间的协同作用，筛选结构基元进行结构修饰和改造，有效提高氧气、氢气、氮气等小分子活化的选择性和反应活性。利用研究体系的特性，捕获相关反应中间体，结合理论计算，深入研究活化和转化反应机理，促进全新、高效的催化剂或催化体系的建立。

Pincer complexes have attracted extensive attention because of their unique properties and important applications in activation and transformation of small molecules. In contrast, the application of CCC type pincer complexes is less developed because their general and convenient method is still unavailable and the structure diversity and the reactivity study are deficient. To date, there are no report concerning the application of CCC type pincer complexes in activation and transformation of small molecules. However, some aromatic CCC type pincer complexes display unique properties, such as excellent stability, easy modification, high reactivity, and favorable extensibility. This proposed project focuses on application of CCC type pincer complexes in activation and transformation of small molecules on basis of our advances in the field of metallacycle chemistry. Through the investigation of the synergetic effect of metal-CCC type pincer ligand-substrate, we will modify and transform the selected frameworks to improve the reactivity and selectivity of the small molecules activation. By utilizing the properties of our CCC type pincer complexes, we plan to capture the key intermediates of the related reactions. In combination of the computationally results, we will deeply investigate the mechanism of the activation and transformation reactions, which will provide new insights and promote the development of new catalysts/catalytic systems for small molecules utilization.