X-ray photoelectron spectra structure and chemical bonding in AmO2
Quantitative analysis was done of the X-ray photoelectron spectra structure in the binding energy range of 0 eV to ~35 eV for americium dioxide (AmO2) valence electrons. The binding energies and structure of the core electronic shells (~35 eV-1250 eV), as well as the relativistic discrete v...
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| Format: | Article |
| Language: | English |
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VINCA Institute of Nuclear Sciences
2015-01-01
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| Series: | Nuclear Technology and Radiation Protection |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/1451-3994/2015/1451-39941502083T.pdf |
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| author | Teterin Yury A. Maslakov Konstantin I. Ryzhkov Mikhail V. Teterin Anton Yu. Ivanov Kirill E. Kalmykov Stepan N. Petrov Vladimir G. |
| author_facet | Teterin Yury A. Maslakov Konstantin I. Ryzhkov Mikhail V. Teterin Anton Yu. Ivanov Kirill E. Kalmykov Stepan N. Petrov Vladimir G. |
| author_sort | Teterin Yury A. |
| collection | DOAJ |
| description | Quantitative analysis was done of the X-ray photoelectron spectra structure
in the binding energy range of 0 eV to ~35 eV for americium dioxide (AmO2)
valence electrons. The binding energies and structure of the core electronic
shells (~35 eV-1250 eV), as well as the relativistic discrete variation
calculation results for the Am63O216 and AmO8 (D4h) cluster reflecting Am
close environment in AmO2 were taken into account. The experimental data show
that the many-body effects and the multiplet splitting contribute to the
spectral structure much less than the effects of formation of the outer
(0-~15 eV binding energy) and the inner (~15 eV-~35 eV binding energy)
valence molecular orbitals. The filled Am 5f electronic states were shown to
form in the AmO2 valence band. The Am 6p electrons participate in formation
of both the inner and the outer valence molecular orbitals (bands). The
filled Am 6p3/2 and the O 2s electronic shells were found to make the largest
contributions to the formation of the inner valence molecular orbitals.
Contributions of electrons from different molecular orbitals to the chemical
bond in the AmO8 cluster were evaluated. Composition and sequence order of
molecular orbitals in the binding energy range 0-~35 eV in AmO2 were
established. The experimental and theoretical data allowed a quantitative
scheme of molecular orbitals for AmO2, which is fundamental for both
understanding the chemical bond nature in americium dioxide and the
interpretation of other X-ray spectra of AmO2. |
| first_indexed | 2024-04-12T02:48:06Z |
| format | Article |
| id | doaj.art-f95236f17ea545138ba75931d2462ee5 |
| institution | Directory Open Access Journal |
| issn | 1451-3994 1452-8185 |
| language | English |
| last_indexed | 2024-04-12T02:48:06Z |
| publishDate | 2015-01-01 |
| publisher | VINCA Institute of Nuclear Sciences |
| record_format | Article |
| series | Nuclear Technology and Radiation Protection |
| spelling | doaj.art-f95236f17ea545138ba75931d2462ee52022-12-22T03:51:06ZengVINCA Institute of Nuclear SciencesNuclear Technology and Radiation Protection1451-39941452-81852015-01-01302839810.2298/NTRP1502083T1451-39941502083TX-ray photoelectron spectra structure and chemical bonding in AmO2Teterin Yury A.0Maslakov Konstantin I.1Ryzhkov Mikhail V.2Teterin Anton Yu.3Ivanov Kirill E.4Kalmykov Stepan N.5Petrov Vladimir G.6NRC “Kurchatov Institute”, Moscow, Russia + Lomonosov Moscow State University, Chemistry Department, Moscow, RussiaLomonosov Moscow State University, Chemistry Department, Moscow, RussiaInstitute of Solid State Chemistry, Ural Department of RAS, Ekaterinburg, RussiaNRC “Kurchatov Institute”, Moscow, RussiaNRC “Kurchatov Institute”, Moscow, RussiaLomonosov Moscow State University, Chemistry Department, Moscow, RussiaLomonosov Moscow State University, Chemistry Department, Moscow, RussiaQuantitative analysis was done of the X-ray photoelectron spectra structure in the binding energy range of 0 eV to ~35 eV for americium dioxide (AmO2) valence electrons. The binding energies and structure of the core electronic shells (~35 eV-1250 eV), as well as the relativistic discrete variation calculation results for the Am63O216 and AmO8 (D4h) cluster reflecting Am close environment in AmO2 were taken into account. The experimental data show that the many-body effects and the multiplet splitting contribute to the spectral structure much less than the effects of formation of the outer (0-~15 eV binding energy) and the inner (~15 eV-~35 eV binding energy) valence molecular orbitals. The filled Am 5f electronic states were shown to form in the AmO2 valence band. The Am 6p electrons participate in formation of both the inner and the outer valence molecular orbitals (bands). The filled Am 6p3/2 and the O 2s electronic shells were found to make the largest contributions to the formation of the inner valence molecular orbitals. Contributions of electrons from different molecular orbitals to the chemical bond in the AmO8 cluster were evaluated. Composition and sequence order of molecular orbitals in the binding energy range 0-~35 eV in AmO2 were established. The experimental and theoretical data allowed a quantitative scheme of molecular orbitals for AmO2, which is fundamental for both understanding the chemical bond nature in americium dioxide and the interpretation of other X-ray spectra of AmO2.http://www.doiserbia.nb.rs/img/doi/1451-3994/2015/1451-39941502083T.pdfactinideX-rayphotoelectron spectrumvalence molecular orbital |
| spellingShingle | Teterin Yury A. Maslakov Konstantin I. Ryzhkov Mikhail V. Teterin Anton Yu. Ivanov Kirill E. Kalmykov Stepan N. Petrov Vladimir G. X-ray photoelectron spectra structure and chemical bonding in AmO2 Nuclear Technology and Radiation Protection actinide X-ray photoelectron spectrum valence molecular orbital |
| title | X-ray photoelectron spectra structure and chemical bonding in AmO2 |
| title_full | X-ray photoelectron spectra structure and chemical bonding in AmO2 |
| title_fullStr | X-ray photoelectron spectra structure and chemical bonding in AmO2 |
| title_full_unstemmed | X-ray photoelectron spectra structure and chemical bonding in AmO2 |
| title_short | X-ray photoelectron spectra structure and chemical bonding in AmO2 |
| title_sort | x ray photoelectron spectra structure and chemical bonding in amo2 |
| topic | actinide X-ray photoelectron spectrum valence molecular orbital |
| url | http://www.doiserbia.nb.rs/img/doi/1451-3994/2015/1451-39941502083T.pdf |
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