X-ray absorption spectroscopy of small copper-oxide cluster ions for analyses of Cu oxidation state and Ar complexation: CuOAr+ and Cu2O2 +

Author:

Hayakawa Tetsuichiro1,Arakawa Masashi2,Kono Satoshi2,Handa Takefumi2,Hayashi Naho2,Minamikawa Kento2,Horio Takuya2,Terasaki Akira12

Affiliation:

1. East Tokyo Laboratory , Genesis Research Institute, Inc. , 717-86 Futamata , Ichikawa , Chiba , 272-0001, Japan

2. Department of Chemistry, Faculty of Science , Kyushu University , 744 Motooka , Nishi-ku , Fukuoka , 819-0395, Japan

Abstract

Abstract Small copper-oxide cluster cations, namely, CuOAr+ and Cu2O2 +, are studied by mass spectrometry and X-ray absorption spectroscopy (XAS) to investigate the oxidation state of copper atoms. The XAS in Cu L3-region revealed that the oxidation number of Cu is almost +2.1 and +2.3 for CuOAr+ and Cu2O2 +, respectively, which are consistent with the natural charges obtained by quantum chemical calculation. It was also revealed that the binding energy of Ar to CuO+ is unexpectedly high to form CuOAr+ dominantly as a result of a significant amount of charge transfer to the Ar atom.

Funder

Special Cluster Research Project of Genesis Research Institute, Inc

JSPS KAKENHI

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry

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