Dynamic Approaches towards Catalyst Discovery

Abstract Catalyst development is a challenging task, caused by the subtle effects that determine whether a catalyst is efficient or not. Success is enhanced by using methodology that relies to a smaller extent on rational design. Combinatorial high‐throughput approaches allow for a systematic exploration of chemical space, but require an easy synthetic access to structurally diverse catalysts. The use of dynamic or reversible chemistry for the construction of catalysts is an attractive option as it allows for self‐assembly and self‐selection processes. Synthesis is restricted to the building blocks after which diversity is simply generated upon mixing. Self‐selection of the best catalyst by the target reaction relieves the burden of rational design. Molecular systems exhibiting catalysis as an emerging property due to a cooperative interplay of the molecular components are envisioned for the future.