Crystal structure of two [Ba(H2 O)3 ](ClO 4 )2 phases and H2 O ligands reorientational motions studied by X-ray single crystal, inelastic and quasielastic incoherent neutron scattering and proton magnetic resonance
Authors:
- Łukasz Hetmańczyk,
- Joanna Hetmańczyk,
- Edward Mikuli,
- Anna Migdał-Mikuli,
- Wojciech Nitek,
- Krystyna Hołderna-Natkaniec,
- Ireneusz Natkaniec
Abstract
XRSCD and NPD measurements indicated that the crystal space group (P6 3/m) is the same for high and low temperature phases. IINS spectra calculated by the DFT method are in a good agreement with the experimental data. The QENS peaks, registered at 225 and 175 K, (above and below the phase transition at TCh=211.3 K, respectively) do not show any broadening, what implies that the corresponding reorientational correlation times for 180 jumps of H2O ligands are longer than 10-11 s. The 1H NMR line absorption results indicate that above TCh, the ratio of the area under the narrow contribution of the line to the whole line is close to 1:3, what suggests that upon heating of the sample, activation of a much faster than 10-8 s rotational (of diffusive nature) motion of the only one of the three H2O ligands per one [Ba(H2O)3](ClO 4)2 formula unit occurs. © 2013 Elsevier Ltd.
- Record ID
- UAMeb7df1d106044db78a9f32cb8817a6d5
- Author
- Journal series
- Journal of Physics and Chemistry of Solids, ISSN 0022-3697
- Issue year
- 2013
- Vol
- 74
- Pages
- 1775-1782
- ASJC Classification
- ; ;
- DOI
- DOI:10.1016/j.jpcs.2013.07.007 opening in a new tab
- Language
- en English
- Score (nominal)
- 25
- Score source
- journalList
- Score
- Publication indicators
- = 1.000; : 2013 = 1.105; : 2013 = 1.594 (2) - 2013=1.635 (5)
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAMeb7df1d106044db78a9f32cb8817a6d5/
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perishopening in a new tab system.
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