The Valence XPS Structure and the Nature of Chemical Bond in CmO2
A E Putkov
1
,
Yu.A. Teterin
1, 2
,
M.V. Ryzhkov
3
,
K I Maslakov
1
,
A.Yu. Teterin
2
,
K.E. Ivanov
2
,
S N Kalmykov
1
,
Publication type: Journal Article
Publication date: 2021-08-01
scimago Q3
wos Q4
SJR: 0.285
CiteScore: 1.6
Impact factor: 1.0
ISSN: 10663622, 16083288
Physical and Theoretical Chemistry
Abstract
In the approximation of the relativistic discrete variation method, the valence X-ray photoelectron spectrum of CmO2 was calculated, and satisfactory agreement with the structure of the experimental spectrum was found. It was shown that the structure of the spectrum is due to the electrons of the outer (from 0 to ~15 eV) and inner (from ~15 to ~35 eV) valence molecular orbitals, which leads to an increase in the covalency of the chemical bond in CmO2. The effective charge of curium in CmO2 was determined, and the contribution of various electrons to the chemical bond was evaluated. A semiempirical scheme of molecular orbitals for CmO2 was constructed.
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Putkov A. E. et al. The Valence XPS Structure and the Nature of Chemical Bond in CmO2 // Radiochemistry. 2021. Vol. 63. No. 4. pp. 401-412.
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Putkov A. E., Teterin Y., Ryzhkov M., Maslakov K. I., Teterin A., Ivanov K., Kalmykov S. N., Petrov V. G. The Valence XPS Structure and the Nature of Chemical Bond in CmO2 // Radiochemistry. 2021. Vol. 63. No. 4. pp. 401-412.
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RIS
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TY - JOUR
DO - 10.1134/S1066362221040020
UR - https://doi.org/10.1134/S1066362221040020
TI - The Valence XPS Structure and the Nature of Chemical Bond in CmO2
T2 - Radiochemistry
AU - Putkov, A E
AU - Teterin, Yu.A.
AU - Ryzhkov, M.V.
AU - Maslakov, K I
AU - Teterin, A.Yu.
AU - Ivanov, K.E.
AU - Kalmykov, S N
AU - Petrov, V. G.
PY - 2021
DA - 2021/08/01
PB - Pleiades Publishing
SP - 401-412
IS - 4
VL - 63
SN - 1066-3622
SN - 1608-3288
ER -
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BibTex (up to 50 authors)
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@article{2021_Putkov,
author = {A E Putkov and Yu.A. Teterin and M.V. Ryzhkov and K I Maslakov and A.Yu. Teterin and K.E. Ivanov and S N Kalmykov and V. G. Petrov},
title = {The Valence XPS Structure and the Nature of Chemical Bond in CmO2},
journal = {Radiochemistry},
year = {2021},
volume = {63},
publisher = {Pleiades Publishing},
month = {aug},
url = {https://doi.org/10.1134/S1066362221040020},
number = {4},
pages = {401--412},
doi = {10.1134/S1066362221040020}
}
Cite this
MLA
Copy
Putkov, A. E., et al. “The Valence XPS Structure and the Nature of Chemical Bond in CmO2.” Radiochemistry, vol. 63, no. 4, Aug. 2021, pp. 401-412. https://doi.org/10.1134/S1066362221040020.