Intramolecular mobility and phase transitions in ammonium oxofluoroniobates (NH4)2NbOF5 and (NH4)3NbOF6, a NMR and DFT study

Article ID	Journal	Published Year	Pages	File Type
1314386	Journal of Fluorine Chemistry	2011	5 Pages	PDF

Abstract

âº Dynamic disorder is characteristic of (NH4)2NbOF5 and (NH4)3NbOF6. âº NbOF52â is rigid while NbOF63â is fluxional in terms of NMR. âº Pentagonal bipyramid coverts into capped trigonal prism at LT phase transition. âº NH4 groups and polyhedra reorient concordantly in (NH4)3NbOF6.

Keywords

19F and 1H NMR spectra Phase transitions Ionic mobility DFT calculations

Related Topics

Physical Sciences and Engineering Chemistry Inorganic Chemistry

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Intramolecular mobility and phase transitions in ammonium oxofluoroniobates (NH4)2NbOF5 and (NH4)3NbOF6, a NMR and DFT study

Authors

V.Ya. Kavun, S.P. Gabuda, S.G. Kozlova, I.A. Tkachenko, N.M. Laptash,