Atomically Precise Defective Copper Nanocluster Catalysts for Highly Selective C-C Cross-Coupling Reactions

Point defects in nanoparticles have long been hypothesized to play an important role in governing the particle's electronic structure and physicochemical properties. However, single point defects in material systems usually exist with other heterogeneities, obscuring the chemical role of the effects. Herein, we report the synthesis of novel atomically precise, copper hydride nanoclusters (NCs), [Cu28H10(C7H7S)(18)(TPP)(3)] (Cu-28; TPP: triphenylphosphine; C7H7S: o-thiocresol) with a defined defect in the gram scale via a one-pot reduction method. The Cu-28 acts as a highly selective catalyst for C-C cross-couplings. The work highlights the potential of defective NCs as model systems for investigating individual defects, correlating defects with physiochemical properties, and rationally designing new nanoparticle catalysts.

Automated summary

This study reports the synthesis of atomically precise copper hydride nanoclusters with a controlled defect, which were demonstrated to be highly selective catalysts for C-C cross-couplings. The work highlights the potential of defective nanoclusters as model systems for investigating individual defects, correlating defects with physicochemical properties, and rationally designing new nanoparticle catalysts.