A gold superatom with 10 electrons in Au-13(PPh3)(8)(p-SC6H4CO2H)(3)

作者：Takano Shinjiro; Yamazoe Seiji; Tsukuda Tatsuya

来源：APL Materials, 2017, 5(5): 053402.

DOI：10.1063/1.4976018

The title compound Au-13(PPh3)(8)(p-MBA)(3) (1) was synthesized by chemical reduction of the neutral complex Au(PPh3)(p-MBA)(p-MBA = p-SC6H4CO2H). Singlecrystal X-ray diffraction analysis of 1 showed that the Au-11 core is protected by seven PPh3 ligands and an Au-2(p-MBA)(3)(PPh3) 1 assembled ligand. Optical spectroscopy indicated that the electronic structure of the Au-11 core of 1 is significantly different from that of the conventional Au-11 superatom with an electron configuration of (1S)(2)(1P)(6). Density-functional theory calculations demonstrated that the Au11 core can be viewed as a non-rare-gas-like superatom with an electron configuration of (1S)(2)(1P)(6)(1D)(2).

• 出版日期2017-5