Abstract:
The 57Fe Mössbauer isomer shift is not directly related to the oxidation state of iron, and therefore the evaluation of the oxidation state of iron from the isomer shift is problematic. The oxidation state affects the isomer shift only to the extent that it affects the Fe–X bond lengths. The isomer shift can be estimated based on the average Fe–X interatomic distance.
Keywords:
Mössbauer spectroscopy, isomer shift, iron in high oxidation state, Fevii, Fevi, Fev, interatomic distance, bond length, electron density at the iron nucleus, DFT, valence, ferrate.
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