Single‐Atom Catalysis: From Simple Reactions to the Synthesis of Complex Molecules

Abstract To date, the scope of single‐atom catalysts (SAC) in liquid‐phase transformations is rather limited owing to stability issues and the inability to activate complex substances. This calls for a better design of the catalyst support that can provide a dynamic coordination environment needed for catalytic action, and yet retain robustness against leaching or aggregation. In addition, the chemical orthogonality of SAC is useful for designing tandem or multicomponent reactions, in which side reactions common to metal nanoparticles are suppressed. In this review, the intrinsic mechanism will be highlighted that controls reaction efficiency and selectivity in SAC‐catalyzed pathways, as well as the structural dynamism of SAC under complex liquid‐phase conditions. These mechanistic insights are helpful for the development of next‐generation SAC systems for the synthesis of high‐value pharmaceuticals through late‐stage functionalization, sequential and multicomponent strategies.