STRUCTURE OF XPS SPECTRA OF K2FeO4

An intricate structure of the X-ray photoelectron spectra of valence and core electrons of potassium ferrate (VI) (K 2 FeO 4 ) containing Fe 6+ ions (3 d 2 ) is studied for the first time. Binding energies of core electrons E b (Fe 3 p 3/2 ) = 57.8 eV and E b (Fe 2 p 3/2 ) = 712.1 eV are determined....

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Bibliographic Details
Published in:Journal of structural chemistry 2022-10, Vol.63 (10), p.1649-1661
Main Authors: Teterin, Yu. A., Perfil’ev, Yu. D., Maslakov, K. I., Yarzhemskii, V. G., Teterin, A. Yu, Ivanov, K. E., Dedushenko, S. K.
Format: Article
Language:English
Subjects:
Atomic
Atomic/Molecular Structure and Spectra
Chemistry
Chemistry and Materials Science
Configuration interaction
Configuration management
Electrons
Inorganic Chemistry
Molecular
Optical and Plasma Physics
Photoelectrons
Physical Chemistry
Potassium ferrate
Solid State Physics
Spectra
X ray photoelectron spectroscopy
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Summary:An intricate structure of the X-ray photoelectron spectra of valence and core electrons of potassium ferrate (VI) (K 2 FeO 4 ) containing Fe 6+ ions (3 d 2 ) is studied for the first time. Binding energies of core electrons E b (Fe 3 p 3/2 ) = 57.8 eV and E b (Fe 2 p 3/2 ) = 712.1 eV are determined. The mechanism of the appearance of the structure in the Fe 3 s spectrum is investigated. The experimental Fe 3 s spectrum of Fe 6+ (3 d 2 ) cations in K 2 FeO 4 consists mainly of two lines with a splitting of 2.1 eV. This value is consistent with the results of the theoretical calculation (2.6 eV) for 3 d 2 (Fe 6+ ) performed by the configuration interaction method.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476622100110