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

by Saidkhodzha Nematulloev, Arunachalam Sagadevan, Badriah Alamer, Aleksander Shukurenko, Renwu Huang, Jun Yin, Chunwei Dong, Peng Yuan, Khursand E Yorov, Azimet A Karluk, Wasim J Mir, Bashir E Hasanov, Mohamed Nejib Hedhili, Naveen M Halappa, Mohamed Eddaoudi, Omar F Mohammed, Magnus Rueping, Osman M Bakr
Year: 2023 DOI:


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), [Cu28 H10 (C7 H7 S)18 (TPP)3 ] (Cu28 ; TPP: triphenylphosphine; C7 H7 S: o-thiocresol) with a defined defect in the gram scale via a one-pot reduction method. The Cu28 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.