Copper(I) Cluster of Aggregation-Induced Emission and X-Ray Scintillator Characteristic

Due to their precise atomic structures, photoluminescent copper nanoclusters (Cu NCs) have promising applications in basic research and technical applications, such as bioimaging, cell labeling, phototherapy, and photoactivation catalysis. In this work, we report a simple strategy for synthesizing novel CuNCs co-protected by alkynyl and phosphine ligands with the molecular formula [Cu₇(PPh₃)₁₀(PE)₃(CH₃O)] (Cu₄@Cu₃). Single-crystal X-ray crystallography reveals that the NC core exhibits an open square structure and an overall pyramid shape. Two Cu₄@Cu₃ units are connected through weak interactions to form dimers in crystals, creating a molecular cage that looks like two tightly closed bowls. Cu₄@Cu₃ exhibits dual emission in the visible region. It is also an aggregation-induced emission (AIE)-active luminescent substance, which exhibits strong emission in the visible light region when aggregated. Besides, it has the properties of radioluminescent (RL) and could be a potential scintillator material. This study not only enriches the types of atomically accurate AIE clusters, but also holds significant importance for the development of a new generation of high-performance and environmentally friendly X-ray scintillators.