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

Tetsuichiro Hayakawa, Akira Terasaki, Masashi Arakawa, Satoshi Kono, Takefumi Handa, Naho Hayashi, Kento Minamikawa, Takuya Horio

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)213-224
Number of pages12
JournalZeitschrift fur Physikalische Chemie
Volume235
Issue number1-2
DOIs
Publication statusPublished - Feb 1 2021

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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