Alkynyl‐Protected Au23 Nanocluster: A 12‐Electron System1. (25th March 2015)

• Record Type: Journal Article
• Authors: Wan, Xian‐Kai; Yuan, Shang‐Fu; Tang, Qing; Jiang, De‐en; Wang, Quan‐Ming
• Is Part Of: Angewandte Chemie. Volume 127:Number 20(2015)
• Page Start: 6075
• Page End: 6078
• Publication Date: 2015-03-25
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201500590
• Languages: English
• ISSNs: 0044-8249

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>A 23‐gold‐atom nanocluster was prepared by NaBH₄‐mediated reduction of a solution of PhCCAu and Ph₃PAuSbF₆ in CH₂Cl₂. The cluster composition was determined to be [Au₂₃(PhCC)₉(Ph₃P)₆]²⁺ and single‐crystal X‐ray diffraction revealed that the cluster has an unprecedented Au₁₇ kernel protected by three PhC₂‐Au‐C₂(Ph)‐Au‐C₂Ph motifs and six Ph₃P groups. The Au₁₇ core can be viewed as the fusion of two Au₁₀ units sharing a Au₃ 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 <italic>D</italic>_{3<italic>h</italic>} symmetry of the Au₁₇ kernel. The discovery and determination of the structure of the Au₂₃ cluster demonstrates the versatility of the alkynyl ligand in leading to the formation of new cluster compounds.</p> </abstract>