Relation between effective atomic charge and chemical shifts in X-ray absorption spectra of transition-metal compounds
- 28 June 1979
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 12 (12), 2439-2445
- https://doi.org/10.1088/0022-3719/12/12/029
Abstract
Chemical shifts of K absorption discontinuities, Delta E, of several manganese, iron and cobalt oxides with the metal in the formal oxidation states between +2 and +4, have been measured. These data, together with data in the literature on other compounds of these metals, can be fitted into the expression Delta E=aq+bq2, where q is the effective atomic charge on the metal. Theoretical considerations also support this functional relationship between Delta E and q.Keywords
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