Seven Nuclei Cluster of Copper: Synthesis, Structure and Assembly

Abstract The determination of molecular and assembly structure of small clusters is a key step toward understanding the complicated nanostructures or even bulk materials. We report herein the synthesis, molecular structure, and assembly structure of novel copper clusters with seven nuclei. The clusters, with the total molecular formula of [Cu 7 Cl 6 (PPh 3 ) 7 ] + , has been obtained by (PPh 3 ) 2 CuBH 4 ‐mediated reduction of CuCl 2 in one pot. Molecular structure of the clusters has been determined by X‐ray single crystal analysis, revealing a Cu 7 Cl 6 metal core protected by phosphine ligands. Interestingly, the clusters are assembled as dimers in the unit cell, in which the cluster interacts with each other via π⋅⋅π interaction from the phenyl groups of the phosphine ligands. This work not only provides an atomically precise copper cluster that may find applications in future, but also reveals the assembly structure of the cluster at the atomic level thus shedding light on the structural dedication of larger nanostructures.