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X-ray emission study of the electronic structure of binuclear niobium complexes with (S2)2–disulfide bridging ligands

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Abstract

The electronic structure of binuclear niobium complexes [Nb2S4(acac)4] and K4[Nb2S4(ox)4] is studied by X-ray emission fluorescent spectroscopy and quantum chemistry techniques. Data on the partial atomic composition of highest occupied molecular orbitals of the complexes are obtained. The energy positions of bonding and antibonding frontier molecular orbitals observed in the X-ray emission spectra of binuclear [Nb2((S2)2–)2]4+ clusters are determined by the analysis of overlap populations.

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    L. N. Mazalov, A. D. Fedorenko, G. K. Parygina, A. L. Gushchin, M. N. Sokolov & S. A. Dalmatova

  2. Novosibirsk National Research State University, Novosibirsk, Russia

    L. N. Mazalov, M. N. Sokolov & S. A. Dalmatova

Authors
  1. L. N. Mazalov
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  2. A. D. Fedorenko
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  3. G. K. Parygina
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  4. A. L. Gushchin
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  5. M. N. Sokolov
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  6. S. A. Dalmatova
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Correspondence to L. N. Mazalov.

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Original Russian Text © 2017 L. N. Mazalov, A. D. Fedorenko, G. K. Parygina, A. L. Gushchin, M. N. Sokolov, S. A. Dalmatova.

Translated from Zhurnal Strukturnoi Khimii, Vol. 58, No. 8, pp. 1675-1682, November-December, 2017.

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Mazalov, L.N., Fedorenko, A.D., Parygina, G.K. et al. X-ray emission study of the electronic structure of binuclear niobium complexes with (S2)2–disulfide bridging ligands. J Struct Chem 58, 1625–1632 (2017). https://doi.org/10.1134/S0022476617080200

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  • DOI: https://doi.org/10.1134/S0022476617080200

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