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Vibrational spectra of zirconium fluoride complexes with different structures of anionic sublattice

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Abstract

Vibrational spectra of Li2ZrF6, K3ZrF7, α-Ba2ZrF8, α-BaZrF6, Cs2Zn(ZrF6)2 · 6H2O, K2ZrF6, and β-BaZrF6 fluorozirconates, which have different structural motifs of the anionic sublattice, are presented. Based on quantum-chemical calculations of the [ZrF6]2−(O h ), [ZrF7]3-(D 5h , C s ), [ZrF8]4−(D 4d ), and [Zr2F12]4−(D 2h , D 2) complex ions and the [Li2ZrF6]0 (D 3d ) and [K8Zr3F20]0 (D 2d , D 2) clusters modeling the structure of zirconium fluoride complexes, the spectral bands of the considered compounds are identified. The number of bands observed in the experimental vibrational spectra of complex salts agrees well with the calculated data. The bands corresponding to the vibrations of bridging bonds in the spectra of coordination compounds α-BaZrF6, Cs2Zn(ZrF6)2 · 6H2O, K2ZrF6, and β-BaZrF6 are determined.

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Authors and Affiliations

  1. Institute of Chemistry, Far East Branch, Russian Academy of Sciences, Vladivostok, 690022, Russia

    E. I. Voit & N. A. Didenko

  2. Institute of Automatics and Control Processes, Far East Branch, Russian Academy of Sciences, Vladivostok, 690041, Russia

    K. N. Galkin

Authors
  1. E. I. Voit
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  2. N. A. Didenko
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  3. K. N. Galkin
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Correspondence to E. I. Voit.

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Original Russian Text © E.I. Voit, N.A. Didenko, K.N. Galkin, 2015, published in Optika i Spektroskopiya, 2015, Vol. 118, No. 1, pp. 118–128.

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Voit, E.I., Didenko, N.A. & Galkin, K.N. Vibrational spectra of zirconium fluoride complexes with different structures of anionic sublattice. Opt. Spectrosc. 118, 114–124 (2015). https://doi.org/10.1134/S0030400X15010257

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