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

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 Au-24(SCH2Ph-Bu-t)(20) nanocluster. This structure features a bi-tetrahedral Au-8 kernel protected by four tetrameric staple-like motifs. Electronic structure analysis is further carried out and the optical absorption spectrum is interpreted. The Au-24(SCH2Ph-Bu-t)(20), Au-23(S-c-C6H11)(16) and Au-25(SCH2CH2Ph)(18) nanoclusters constitute the first crystallographically characterized trio.