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. © 2010 IOP Publishing Ltd.
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CITATION STYLE
Poleshchuk, O., Kruchkova, N., Perfiliev, Y., & Dedushenko, S. (2010). Estimations of the isomer shifts for tetraoxoferrates. In Journal of Physics: Conference Series (Vol. 217). Institute of Physics Publishing. https://doi.org/10.1088/1742-6596/217/1/012041
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