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Article Abstract
Herein, we successfully synthesized a copper nanocluster, [Cu(SeCH)(Dppe)Se]. The Cu features a tetrahedral Cu core, surrounded by tetrahedral Se and octahedral Cu subunits, and further stabilized by CuSe, Cu(SeR), and DppeCu staples, which can be interpreted as an assembly of tetrahedral and octahedral units. Density functional theory (DFT) calculations were employed to investigate the electronic structure of Cu. This nanocluster demonstrates excellent catalytic properties in copper-catalyzed [3+2] azide-alkyne cycloaddition (CuAAC) reactions. Additionally, Cu enriches the structural diversity of copper-based nanoclusters, providing valuable insights for future structural predictions.
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