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On the interpretation of Mössbauer isomer shifts of iron-organic compounds

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Abstract

Analysis of the available data for several classes of homo- and heteroleptic iron-organic compounds has shown that coefficient ∇IS/aID = 0.04 mm s−1 pm−1 can be applied to describe the interrelation between the Mössbauer isomer shift and average interatomic distance between iron and the atoms of its coordination polyhedron. An additional increment was used to describe changes in the isomer shift that are not related to changes in the environment of iron or in the corresponding interatomic distances. This increment characterizes the filling of hybridized 4s4pm3dn orbitals with electrons. To calculate the increment, the value of 1.4 mm s−1 was used, which characterizes the difference between isomer shifts of iron with fully filled and half-filled hybridized shells. To compare the isomer shifts of iron compounds with ligands of different sizes, the corrections for these sizes were used.

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Notes

  1. Difference related to an equal aIDFe-X value using the ∇IS/aID coefficient.

  2. At this stage, we do not consider such substances as ferrocene and its derivatives, other compounds with η-bonds, iron adducts with fullerene and other forms of elemental carbon, as well as compounds in which the numbers and lengths of directional chemical bonds are difficult to determine.

  3. After the manuscript had been reviewed, we found a few more examples, which were added to Table 3 and to Table 4 (lines 21–24) without discussion in the text.

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Acknowledgements

The authors are grateful to Prof. S.V. Stepanov for numerous valuable pieces of advice and criticism, and to Dr. E.V. Bovina for her valuable help in presenting the structural formulas, as well as to Prof. A.A. Kamnev for his efforts to open our eyes to what we did not want to look at.

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  1. Lyalin Pereulok 24/26-43, Moscow, Russia, 101000

    Sergey K. Dedushenko

  2. Department of Chemistry, Moscow State University, Moscow, Russia, 119991

    Yurii D. Perfiliev

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  1. Sergey K. Dedushenko
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Correspondence to Sergey K. Dedushenko.

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Dedushenko, S.K., Perfiliev, Y.D. On the interpretation of Mössbauer isomer shifts of iron-organic compounds. J Radioanal Nucl Chem 332, 2613–2632 (2023). https://doi.org/10.1007/s10967-023-08933-1

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