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The electronic structure of iron carbonyl complexes as probed by X-ray emission spectroscopy and quantum-chemical calculations

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Abstract

The electronic structure of the polynuclear iron carbonyl complexes [Et2N][Fe4N(CO)12], [Et4N]2[Fe5C(CO)14], and [Et4N]2[Fe6C(CO)16] has been studied by X-ray emission spectroscopy and quantum-chemical calculations. The fine structure of the FeKβ5 X-ray emission spectra characterizes the distribution of iron valence p electrons over the molecular orbitals of the compounds. Comparison of the fine structure of the FeKβ5 X-ray emission spectra with the densities of states of all atoms in the molecules has made it possible to determine in detail the character and specific features of chemical bonding in the complexes.

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Authors and Affiliations

  1. Research Institute of Physics, Southern Federal University, Rostov-on-Don, 344090, Russia

    O. V. Kulikova, V. G. Vlasenko, A. V. Kozinkin & S. S. Podsukhina

  2. Sedov Water Transport Institute, Admiral Ushakov Maritime State University, Rostov-on-Don, 344006, Russia

    S. S. Fedosienko

Authors
  1. O. V. Kulikova
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  2. V. G. Vlasenko
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  3. A. V. Kozinkin
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  4. S. S. Podsukhina
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  5. S. S. Fedosienko
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Correspondence to O. V. Kulikova.

Additional information

Original Russian Text © O.V. Kulikova, V.G. Vlasenko, A.V. Kozinkin, S.S. Podsukhina, S.S. Fedosienko, 2017, published in Zhurnal Neorganicheskoi Khimii, 2017, Vol. 62, No. 9, pp. 1210–1216.

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Kulikova, O.V., Vlasenko, V.G., Kozinkin, A.V. et al. The electronic structure of iron carbonyl complexes as probed by X-ray emission spectroscopy and quantum-chemical calculations. Russ. J. Inorg. Chem. 62, 1202–1208 (2017). https://doi.org/10.1134/S0036023617090091

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  • DOI: https://doi.org/10.1134/S0036023617090091

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