Home / Publications / Chemical bond in FmO2

Chemical bond in FmO2

Yurii Aleksandrovich Teterin 1, 2
Yurii Aleksandrovich Teterin
, 
Andrei Evgenievich Putkov 1, 2
Andrei Evgenievich Putkov
, 
Mikhail Vladimirovich Ryzhkov 3
Mikhail Vladimirovich Ryzhkov
,  , 
Anton Yur'evich Teterin 2
Anton Yur'evich Teterin
, 
Kirill Evgenievich Ivanov 2
Kirill Evgenievich Ivanov
,  , 
1 Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
2 National Research Centre 'Kurchatov Institute', Moscow, Russian Federation
3 Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation
10.1016/j.mencom.2023.09.004
Published 2023-09-01
Communication , Volume 33, Issue 5, 605-607
4
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Teterin Y. A. et al. Chemical bond in FmO2 // Mendeleev Communications. 2023. Vol. 33. No. 5. pp. 605-607.
GOST all authors (up to 50) Copy
Teterin Y. A., Putkov A. E., Ryzhkov M. V., Maslakov K. I., Teterin A. Y., Ivanov K. E., Kalmykov S. N., Petrov V. G. Chemical bond in FmO2 // Mendeleev Communications. 2023. Vol. 33. No. 5. pp. 605-607.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2023.09.004
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.09.004
TI - Chemical bond in FmO2
T2 - Mendeleev Communications
AU - Teterin, Yurii Aleksandrovich
AU - Putkov, Andrei Evgenievich
AU - Ryzhkov, Mikhail Vladimirovich
AU - Maslakov, Konstantin Igorevich
AU - Teterin, Anton Yur'evich
AU - Ivanov, Kirill Evgenievich
AU - Kalmykov, Stepan Nikolaevich
AU - Petrov, Vladimir Gennadievich
PY - 2023
DA - 2023/09/01
PB - Mendeleev Communications
SP - 605-607
IS - 5
VL - 33
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2023_Teterin,
author = {Yurii Aleksandrovich Teterin and Andrei Evgenievich Putkov and Mikhail Vladimirovich Ryzhkov and Konstantin Igorevich Maslakov and Anton Yur'evich Teterin and Kirill Evgenievich Ivanov and Stepan Nikolaevich Kalmykov and Vladimir Gennadievich Petrov},
title = {Chemical bond in FmO2},
journal = {Mendeleev Communications},
year = {2023},
volume = {33},
publisher = {Mendeleev Communications},
month = {Sep},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.09.004},
number = {5},
pages = {605--607},
doi = {10.1016/j.mencom.2023.09.004}
}
MLA
Cite this
MLA Copy
Teterin, Yurii Aleksandrovich, et al. “Chemical bond in FmO2.” Mendeleev Communications, vol. 33, no. 5, Sep. 2023, pp. 605-607. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.09.004.

Keywords

chemical bond
electronic structure
FmO2
relativistic method of discrete variation.
XPS spectrum of valence electrons

Abstract

The density of electronic states and the XPS spectrum of FmO2 valence electrons in the binding energy range from 0 to ∼40 eV have been calculated by the fully relativistic method of discrete variation. It is shown that the electrons of the outer and inner valence molecular orbitals (MOs) with binding energies from 0 to ∼15 eV and from ∼15 to ∼40 eV, respectively, contribute to the complex structure of the XPS spectrum of FmO2. The FmO2 MO diagram was constructed and the contribution of the electrons of the outer and inner valence MOs to the chemical bond was estimated.

References

.
The electronic structure and the nature of the chemical bond in CeO2
Maslakov K.I., Teterin Y.A., Ryzhkov M.V., Popel A.J., Teterin A.Y., Ivanov K.E., Kalmykov S.N., Petrov V.G., Petrov P.K., Farnan I.
Physical Chemistry Chemical Physics, 2018
.
Electronic Structure and Nature of Chemical Bonds in BkO2
Putkov A.E., Teterin Y.A., Ryzhkov M.V., Teterin A.Y., Maslakov K.I., Ivanov K.E., Kalmykov S.N., Petrov V.G.
Russian Journal of Physical Chemistry A, 2021
.
Relativistic molecular calculations in the Dirac–Slater model
Rosen A., Ellis D.E.
Journal of Chemical Physics, 1975
.
Self-consistent Dirac-Slater calculations for molecules and embedded clusters
Ellis D.E., Goodman G.L.
International Journal of Quantum Chemistry, 1984
.
Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations 2 ≤ Z ≤ 106
Huang K., Aoyagi M., Chen M.H., Crasemann B., Mark H.
Atomic Data and Nuclear Data Tables, 1976
.
Chemical Bonding
Mulliken R.S.
Annual Review of Physical Chemistry, 1978
.
Electronic structure and ionicity of actinide dioxides
Kelly P.J., Brooks M.S., Allen R.
Le Journal de Physique Colloques, 2007
.
Atomic electron binding energies
Sevier K.D.
Atomic Data and Nuclear Data Tables, 1979
.
Chemical Bond Nature and Structure of X-ray Photoelectron Spectrum of PaO2
Teterin Y.A., Ryzhkov M.V., Putkov A.E., Maslakov K.I., Teterin A.Y., Ivanov K.E., Kalmykov S.N., Petrov V.G.
Russian Journal of Inorganic Chemistry, 2022
.
Experimental Atomic-Electron Binding Energies in Fermium
Porter F.T., Freedman M.S.
Physical Review Letters, 1971