Estimations of the isomer shifts for tetraoxoferrates

O. Poleshchuk, N. Kruchkova, Yu Perfiliev, S. Dedushenko

    Research output: Contribution to journal › Article

    3 Citations (Scopus)

    Abstract

    57Fe isomer shifts and the electron density on iron nucleus for a range of tetraoxoferrate ions have been analyzed by means of DFT calculations. The bond lengths and the electron density on the nucleus obtained by our calculations substantially corresponded to the known structural and Mössbauer data. For ferrates the isomer shift depends on the 4s-orbital population. The results obtained allowed us to estimate the isomer shifts for tetraoxoferrate(VII), KFeO4, and iron(VIII) oxide, FeO4.

    Original languageEnglish
    Article number012041
    JournalJournal of Physics: Conference Series
    Volume217
    Issue number1
    DOIs
    Publication statusPublished - 2010

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    isomers
    shift
    ferrates
    nuclei
    iron oxides
    iron
    orbitals
    estimates
    ions

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Cite this

    Poleshchuk, O., Kruchkova, N., Perfiliev, Y., & Dedushenko, S. (2010). Estimations of the isomer shifts for tetraoxoferrates. Journal of Physics: Conference Series, 217(1), [012041]. https://doi.org/10.1088/1742-6596/217/1/012041

    Estimations of the isomer shifts for tetraoxoferrates. / Poleshchuk, O.; Kruchkova, N.; Perfiliev, Yu; Dedushenko, S.

    In: Journal of Physics: Conference Series, Vol. 217, No. 1, 012041, 2010.

    Research output: Contribution to journal › Article

    Poleshchuk, O, Kruchkova, N, Perfiliev, Y & Dedushenko, S 2010, 'Estimations of the isomer shifts for tetraoxoferrates', Journal of Physics: Conference Series, vol. 217, no. 1, 012041. https://doi.org/10.1088/1742-6596/217/1/012041
    Poleshchuk O, Kruchkova N, Perfiliev Y, Dedushenko S. Estimations of the isomer shifts for tetraoxoferrates. Journal of Physics: Conference Series. 2010;217(1). 012041. https://doi.org/10.1088/1742-6596/217/1/012041
    Poleshchuk, O. ; Kruchkova, N. ; Perfiliev, Yu ; Dedushenko, S. / Estimations of the isomer shifts for tetraoxoferrates. In: Journal of Physics: Conference Series. 2010 ; Vol. 217, No. 1.
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    AB - 57Fe isomer shifts and the electron density on iron nucleus for a range of tetraoxoferrate ions have been analyzed by means of DFT calculations. The bond lengths and the electron density on the nucleus obtained by our calculations substantially corresponded to the known structural and Mössbauer data. For ferrates the isomer shift depends on the 4s-orbital population. The results obtained allowed us to estimate the isomer shifts for tetraoxoferrate(VII), KFeO4, and iron(VIII) oxide, FeO4.

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