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.

本研究聚焦于通过策略性配体工程（strategic ligand engineering），实现原子级精准币金属纳米团簇（atomically precise coinage metal nanoclusters）的理性设计与合成，以解决其固有稳定性难题，并充分挖掘其在催化领域的全部应用潜力。通过系统性调控表面配体，本团队成功提升了纳米团簇的稳定性，精准调控其电子结构，并实现了优异的光催化性能。核心研究成果包括：阐明金纳米团簇（gold nanoclusters）的手性起源，明确银在金基催化中的真实活性作用，开发出性能稳定的金团簇光催化剂用于可见光驱动的自由基偶联反应，以及将铜纳米团簇拓展至具备近红外发射特性的光氧化还原（photoredox）应用领域。本研究证实，配体设计对于提升金属纳米团簇的功能特性与实用价值，进而推动可持续高效催化工艺的发展具有关键支撑作用。