Abstract
Results are presented from quantum-chemical calculations for the iron complexes Fe(CN)5NO2−, Fe(CN)6 3−,Fe(CN)6 4−, FeCl4 −, and FeCl6 3− in comparison with Mössbauer-spectroscopic data. The parameters of the Mössbauer spectra were calculated according to specially developed programs. The calibration constant of the isomer shift α was determined to be −0.13 mm/sec.
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 23, No. 4, pp. 506–508, July–August 1987.
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Burykin, B.N., Khleskov, V.I. Determination of the calibration constant of the isomer shift of 57Fe Mössbauer spectra. Theor Exp Chem 23, 475–477 (1988). https://doi.org/10.1007/BF00536374
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DOI: https://doi.org/10.1007/BF00536374