Crystal structure and electronic properties of a thiolate-protected Au_(24) nanocluster

摘要

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-~tBu)_(20) nanocluster. This structure features a bi-tetra-hedral Aug 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-~tBu)_(20), Au_(23)(Sc-C6H_(11))_(16) and Au_(25)(SCH2CH2Ph)_(18) nanoclusters constitute the first crystallographically characterized "trio".