Alkynyl-Protected Au-23 Nanocluster: A 12-Electron System
Qing Tang ( Univ Calif Riverside, Dept Chem.)
De-en Jiang ( Univ Calif Riverside, Dept Chem.)
- 化学化工－已发表论文 
A 23-gold-atom nanocluster was prepared by NaBH4-mediated reduction of a solution of PhC equivalent to CAu and Ph3PAuSbF6 in CH2Cl2. The cluster composition was determined to be [Au-23(PhC equivalent to C)(9)(Ph3P)(6)](2+) and single-crystal X-ray diffraction revealed that the cluster has an unprecedented Au-17 kernel protected by three PhC2-Au-C-2(Ph)-Au-C2Ph motifs and six Ph3P groups. The Au-17 core can be viewed as the fusion of two Au-10 units sharing a Au-3 triangle. Electronic structure analysis from DFT calculations suggests that the stability of this unusual 12-electron cluster is a result of the splitting of the superatomic 1D orbitals under D-3h symmetry of the Au-17 kernel. The discovery and determination of the structure of the Au-23 cluster demonstrates the versatility of the alkynyl ligand in leading to the formation of new cluster compounds.