Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster

Abstract

Solving the total structures of gold nanoclusters is of critical importance for understanding their electronic, optical and catalytic properties. Herein, we report the X-ray structure of a charge-neutral Au₂₄(SCH₂Ph-^tBu)₂₀ nanocluster. This structure features a bi-tetrahedral Au₈ kernel protected by four tetrameric staple-like motifs. Electronic structure analysis is further carried out and the optical absorption spectrum is interpreted. The Au₂₄(SCH₂Ph-^tBu)₂₀, Au₂₃(S-c-C₆H₁₁)₁₆ and Au₂₅(SCH₂CH₂Ph)₁₈ nanoclusters constitute the first crystallographically characterized “trio”.