TY - JOUR
T1 - X-ray absorption spectroscopy of small copper-oxide cluster ions for analyses of Cu oxidation state and Ar complexation
T2 - CuOAr+ and Cu2O2 +
AU - Hayakawa, Tetsuichiro
AU - Terasaki, Akira
AU - Arakawa, Masashi
AU - Kono, Satoshi
AU - Handa, Takefumi
AU - Hayashi, Naho
AU - Minamikawa, Kento
AU - Horio, Takuya
N1 - Funding Information:
Research funding: This work has been supported by the Special Cluster Research Project of Genesis Research Institute, Inc., and by JSPS KAKENHI.
Funding Information:
We thank Professor Hiroshi Kumigashira, Professor Koji Horiba and Dr. Miho Kitamura for their technical support in the beamline BL-2B, KEK-PF. This work has been supported by the Special Cluster Research Project of Genesis Research Institute, Inc., and by JSPS KAKENHI Grant Number JP17K04977. XAS measurement was performed under the approval of the Photon Factory Program Advisory Committee (Proposal No. 2018G148). DFT calculations were performed by the computing system at the Research Institute for Information Technology, Kyushu University.
Publisher Copyright:
© 2021 De Gruyter. All rights reserved.
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021/2/1
Y1 - 2021/2/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85089068697&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85089068697&partnerID=8YFLogxK
U2 - 10.1515/zpch-2020-1668
DO - 10.1515/zpch-2020-1668
M3 - Article
AN - SCOPUS:85089068697
VL - 235
SP - 213
EP - 224
JO - Zeitschrift fur Physikalische Chemie
JF - Zeitschrift fur Physikalische Chemie
SN - 0942-9352
IS - 1-2
ER -