AbstractPoint 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] (Cu28; TPP: triphenylphosphine; C7H7S: 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.
摘要 长期以来,人们一直认为纳米粒子中的点缺陷在控制粒子的电子结构和物理化学特性方面发挥着重要作用。然而,材料系统中的单点缺陷通常与其他异质性同时存在,从而掩盖了这些效应的化学作用。在此,我们报告了通过一锅还原法合成的具有克级定义缺陷的新型原子精确氢化物铜纳米团簇(NCs)[Cu28H10(C7H7S)18(TPP)3](Cu28;TPP:三苯基膦;C7H7S:邻硫基甲酚)。Cu28 是一种高选择性的 C-C 交联催化剂。这项工作突出了缺陷 NC 作为模型系统的潜力,可用于研究单个缺陷、将缺陷与理化性质相关联以及合理设计新型纳米粒子催化剂。