Reactivity and Recyclability of Ligand-Protected Metal Cluster Catalysts for CO Transformation.

It remains a significant challenge to construct an integrated catalyst that combines advantages of homogeneous and heterogeneous catalysis with clarified mechanism and high performance. Here we show atomically precise CuAg cluster catalysts for CO capture and utilization, where two functional units are combined into the clusters: metal and ligand. Due to atomic resolution on total and local structures of such catalysts to be achieved, which disentangles heterogeneous imprecise systems and permits tracing the reaction processes via experiments coupled with theory, site-specific catalysis induced by metal-ligand synergy can be accurately elucidated. The CuAg cluster catalysts exhibit excellent reactivity and recyclability to forge the C-N bonding from CO formylation with secondary amines that can make the cluster catalysts more unique compared with typically homogeneous complexes.