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Structure and force field of the NbOCl3 molecule

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Abstract

The structure of the NbOCl3 molecule is studied by electron diffraction at 743(6) K. It is established that the molecule is characterized by C3v symmetry and the following structural parameters: rα(Nb=0) 1.682(6) Å, rα(Nb−Cl) 2.276(5) Å, ∢(ONbCl) 107.5(5)°, and ∢(ClNbCl) 111.3(4)°. Comparison with the other niobium oxytrihalide molecules shows that these values of the Nb=O bond and the bond angles are characteristic. The assignment of the ϕ3 frequency of the NbOCl3 molecule is refined, and the vibration frequencies of the NbOF3 molecule are estimated.

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Authors
  1. I. N. Belova
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  2. N. I. Giricheva
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  3. G. V. Girichev
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  4. V. N. Petrova
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  5. S. A. Shlykov
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Additional information

Ivanovo Chemical Engineering Academy. Ivanovo State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 2, pp. 257–264, March–April, 1996.

Translated by I. Izvekova

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Belova, I.N., Giricheva, N.I., Girichev, G.V. et al. Structure and force field of the NbOCl3 molecule. J Struct Chem 37, 224–231 (1996). https://doi.org/10.1007/BF02591051

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  • DOI: https://doi.org/10.1007/BF02591051

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