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氢化物掺杂的金超原子(AuH):合成、结构与转变

Hydride-Doped Gold Superatom (AuH): Synthesis, Structure, and Transformation.

作者信息

Takano Shinjiro, Hirai Haru, Muramatsu Satoru, Tsukuda Tatsuya

机构信息

Department of Chemistry, School of Science , The University of Tokyo , 7-3-1 Hongo , Bunkyo-ku, Tokyo 113-0033 , Japan.

Elements Strategy Initiative for Catalysis and Batteries (ESICB) , Kyoto University , Katsura, Kyoto 615-8520 , Japan.

出版信息

J Am Chem Soc. 2018 Jul 11;140(27):8380-8383. doi: 10.1021/jacs.8b03880. Epub 2018 Jun 28.

Abstract

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

摘要

首次通过质谱和核磁共振光谱法观察到氢化物(H)掺杂到扁球形金簇[Au(PPh)]中。对产物[AuH(PPh)]的密度泛函理论计算表明,(AuH)核可被视为具有封闭电子壳层的近似球形超原子。掺杂氢化物的超原子(AuH)成功转化为著名的超原子Au,通过自下而上的方法提供了一种新的原子精确合成金簇的方法。

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