Vibrational spectra of eight-coordinate niobium and tantalum complexes with peroxo ligands: A theoretical simulation

Bayot, Daisy;Devillers, Michel;Peeters, Daniel
(2005) European Journal of Inorganic Chemistry — n° 20, p. 4118-4123 (2005)

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Authors
  • Bayot, DaisyUCLouvain
    Author
  • Devillers, Michelorcid-logoUCLouvain
    Author
  • Peeters, DanielUCLouvain
    Author
Abstract
A theoretical interpretation of the experimental observations made by vibrational IR and Raman spectroscopy on eight-coordinate peroxo complexes of niobium(v) and tantalum(v) is carried out. The theoretical study, realised on stoichiometric models of general formula [M(O-2)(4)](3-), [M(O-2)(3)L-2](x-), cis-and trans-[M (O-2)(2)L-4](y-) and [M(O-2)L-6](z-) (M = Nb-v or Ta-v), provides the normal modes of vibrations involving peroxo ligands, their corresponding calculated frequency and their activity in IR and/or Raman spectroscopy. The theoretical results from the model complexes are compared with experimental IR and Raman spectroscopic data. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005).
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Citations

Bayot, D., Devillers, M., & Peeters, D. (2005). Vibrational spectra of eight-coordinate niobium and tantalum complexes with peroxo ligands: A theoretical simulation. European Journal of Inorganic Chemistry, 20, 4118-4123. https://doi.org/10.1002/ejic.200500428 (Original work published 2005)