Estimations of the isomer shifts for tetraoxoferrates

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

    Результат исследований: Материалы для журналаСтатья

    3 Цитирования (Scopus)

    Аннотация

    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.

    Язык оригиналаАнглийский
    Номер статьи012041
    ЖурналJournal of Physics: Conference Series
    Том217
    Номер выпуска1
    DOI
    СостояниеОпубликовано - 2010

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    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Цитировать

    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