Hydride-Doped Gold Superatom (Au_9H)~(2+): Synthesis, Structure, and Transformation

摘要

Doping of a hydride (H~(–)) into an oblate-shaped gold cluster [Au_(9)(PPh_(3))_(8)]~(3+) was observed for the first time by mass spectrometry and NMR spectroscopy. Density functional theory calculations for the product [Au_(9)H(PPh_(3))_(8)]~(2+) demonstrated that the (Au_(9)H)~(2+) core can be viewed as a nearly spherical superatom with a closed electronic shell. The hydride-doped superatom (Au_(9)H)~(2+) was successfully converted to the well-known superatom Au_(11)~(3+), providing a new atomically precise synthesis of Au clusters via a bottom-up approach.