有机硅化合物是用于合成药物活性分子、特种材料的潜在构筑单元，传统上基于有机硅烷的转化是合成有机硅化合物的重要途径。发展高效的Si-H键活化催化剂及对Si-H键活化方式的系统研究对探索该类型催化反应具有重要的意义。金基催化剂在Si-H键活化方面已经显示出其独特的优势，然而对于催化机理的理解仍不明确。本课题拟以单原子位点Au-过渡金属氧化物催化材料的合成与表征、单原子位点Au-氮掺杂的多孔碳催化材料的合成与表征为研究对象，探究单原子位点Au催化材料在Si-H键活化转化中的性能及其催化机理。结构明确的单原子位点Au催化材料具有非均相催化剂本质、均相催化剂特征，能够从原子分子层面与催化性能进行关联。研究结果可以为有机硅化合物的高效合成提供理论基础，为进一步探索其它金催化的重要有机反应提供借鉴意义。

Organosilicon compounds are potential building blocks for the synthesis of drug active molecules and special materials. Traditionally, the conversion based on organosilicon is an important way to synthesize organosilicon compounds. It is of great significance to develop efficient catalysts for activation of Si-H bonds and to study systematically the activation modes of Si-H bonds for exploring this type of catalytic reactions. Gold-based catalysts have shown their unique advantages in activating Si-H bonds, but the understanding of the catalytic mechanism is still unclear. In this proposal, the synthesis and characterization of single atomic site Au-transition metal oxides catalyst and single atomic site Au-nitrogen doped porous carbon catalyst are studied to explore the properties and catalytic mechanism in the activation and transformation of Si-H bonds. Single atomic site Au catalyst with well-defined structure have heterogeneous nature and homogeneous characteristics, which can be correlated with the catalytic performance at the atomic and molecular level. The results can provide a theoretical basis for the efficient synthesis of organosilicon compounds and provide a reference for further exploring other important organic reactions catalyzed by gold.