Russian Journal of Inorganic Chemistry

, Volume 58, Issue 8, pp 945–950

XPS study of the electronic structure of heterometallic complexes Fe2MO(Piv)6(HPiv)3 (M = Ni, Co)

  • T. M. Ivanova
  • I. N. Shcherbakov
  • R. V. Linko
  • M. A. Kiskin
  • I. S. Evstifeev
  • A. A. Sidorov
  • V. M. Novotortsev
  • I. L. Eremenko
Physical Methods of Investigation

DOI: 10.1134/S0036023613080093

Cite this article as:
Ivanova, T.M., Shcherbakov, I.N., Linko, R.V. et al. Russ. J. Inorg. Chem. (2013) 58: 945. doi:10.1134/S0036023613080093

Abstract

Heterometallic complexes Fe2MO(Piv)6(HPiv)3 (M = Ni, Co) have been studied by XPS. The complexes are identified as high-spin complexes with metal atoms in oxidation states M(II) and M(III). A change in the ligand environment of metal atoms has an effect on both the energetic state of metal atoms and the XPS pattern. The substitution of a Co atom for the nickel atom in the heterometallic complexes changes the XPS pattern of iron and their magnetic state. For the Fe2MO(Piv)6(HPiv)3 complexes, quantum-chemical calculations have been performed at the density functional theory (DFT) level. In combination with XPS and magnetochemistry data, the quantum-chemical calculation demonstrates that the Fe, Ni, and Co atoms in the trinuclear complexes are in the high-spin local state and that the ground state is dominated by antiferromagnetic exchange interaction.

Copyright information

© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  • T. M. Ivanova
    • 1
  • I. N. Shcherbakov
    • 2
  • R. V. Linko
    • 3
  • M. A. Kiskin
    • 1
  • I. S. Evstifeev
    • 1
  • A. A. Sidorov
    • 1
  • V. M. Novotortsev
    • 1
  • I. L. Eremenko
    • 1
  1. 1.Kurnakov Institute of General and Inorganic ChemistryRussian Academy of SciencesMoscowRussia
  2. 2.Southern Federal UniversityRostov-on-DonRussia
  3. 3.Peoples’ Friendship University of RussiaMoscowRussia

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