Combined vibrational spectra of natural wardite

D. K. Breitinger, H. H. Belz, L. Hajba, V. Komlósi, J. Mink, G. Brehm, D. Colognesi, S. F. Parker, R. G. Schwab

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Vibrational spectra (IR, Raman, inelastic neutron scattering) were measured of natural wardite (ideal formula NaAl3(OH)4(PO 4)2·2 H2O) from Trauira, Brazil, with the main impurities Fe and Ca. The spectra are discussed on the basis of a symmetry analysis restricted to one layer in the four-layer structure. The band pattern in the ν(OH) region is due to two different Al2OH groups and their correlation coupling; their deformations δ and γ are assigned based on IR and INS spectra. Contributions of the hydrogen-bonded H2O molecules are discussed, as are the vibrations of the AlO 6 octahedra dominating the Raman spectrum. From the fundamentals ν(OH) of the OH groups and their overtones anharmonicity constants have been estimated.

Original languageEnglish
Pages (from-to)95-99
Number of pages5
JournalJournal of Molecular Structure
Volume706
Issue number1-3 SPEC. ISS.
DOIs
Publication statusPublished - Nov 12 2004

Fingerprint

Inelastic neutron scattering
Neutrons
Vibrational spectra
Vibration
vibrational spectra
Brazil
Raman scattering
Hydrogen
Impurities
Molecules
inelastic scattering
neutron scattering
Raman spectra
harmonics
impurities
vibration
symmetry
hydrogen
molecules

Keywords

  • Anharmonicity
  • Inelastic neutron scattering spectra
  • IR and NIR spectra
  • Raman spectra
  • Wardite

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Breitinger, D. K., Belz, H. H., Hajba, L., Komlósi, V., Mink, J., Brehm, G., ... Schwab, R. G. (2004). Combined vibrational spectra of natural wardite. Journal of Molecular Structure, 706(1-3 SPEC. ISS.), 95-99. https://doi.org/10.1016/j.molstruc.2004.01.039

Combined vibrational spectra of natural wardite. / Breitinger, D. K.; Belz, H. H.; Hajba, L.; Komlósi, V.; Mink, J.; Brehm, G.; Colognesi, D.; Parker, S. F.; Schwab, R. G.

In: Journal of Molecular Structure, Vol. 706, No. 1-3 SPEC. ISS., 12.11.2004, p. 95-99.

Research output: Contribution to journalArticle

Breitinger, DK, Belz, HH, Hajba, L, Komlósi, V, Mink, J, Brehm, G, Colognesi, D, Parker, SF & Schwab, RG 2004, 'Combined vibrational spectra of natural wardite', Journal of Molecular Structure, vol. 706, no. 1-3 SPEC. ISS., pp. 95-99. https://doi.org/10.1016/j.molstruc.2004.01.039
Breitinger DK, Belz HH, Hajba L, Komlósi V, Mink J, Brehm G et al. Combined vibrational spectra of natural wardite. Journal of Molecular Structure. 2004 Nov 12;706(1-3 SPEC. ISS.):95-99. https://doi.org/10.1016/j.molstruc.2004.01.039
Breitinger, D. K. ; Belz, H. H. ; Hajba, L. ; Komlósi, V. ; Mink, J. ; Brehm, G. ; Colognesi, D. ; Parker, S. F. ; Schwab, R. G. / Combined vibrational spectra of natural wardite. In: Journal of Molecular Structure. 2004 ; Vol. 706, No. 1-3 SPEC. ISS. pp. 95-99.
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