Supporting data for “Atomic Precise Metal Nanoclusters Structural Engineering and Catalytic Applications in Organic Synthesis”

This research focuses on the rational design and synthesis of atomically precise coinage metal nanoclusters through strategic ligand engineering to address their inherent stability challenges and unlock their full potential in catalysis. By systematically modifying surface ligands, we successfully enhanced the clusters' stability, tailored their electronic structures, and achieved superior photocatalytic performance. Key findings include elucidating the origin of chirality in gold nanoclusters, identifying the true active role of silver in gold catalysis, developing robust gold cluster photocatalysts for visible-light-driven radical couplings, and expanding copper nanoclusters into photoredox applications with near-infrared emission. This work demonstrates the critical role of ligand design in advancing the functionality and practicality of metal nanoclusters for sustainable and efficient catalytic processes.