1. Combined vibrational spectra of natural wardite
- Author
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János Mink, Stewart F. Parker, H.-H. Belz, R. G. Schwab, Viktória Komlósi, G. Brehm, László Hajba, Dietrich K. Breitinger, and D. Colognesi
- Subjects
Chemistry ,Anharmonicity ,Organic Chemistry ,IR and NIR spectra ,Inelastic neutron scattering ,Spectral line ,Analytical Chemistry ,Inorganic Chemistry ,symbols.namesake ,Octahedron ,Computational chemistry ,Impurity ,symbols ,Physical chemistry ,Molecule ,Raman spectra ,Physics::Chemical Physics ,Raman spectroscopy ,Wardite ,Inelastic neutron scattering spectra ,Spectroscopy ,Vibrational spectra - Abstract
Vibrational spectra (IR, Raman, inelastic neutron scattering) were measured of natural wardite (ideal formula NaAl 3 (OH) 4 (PO 4 ) 2 ·2 H 2 O) 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 Al 2 OH groups and their correlation coupling; their deformations δ and γ are assigned based on IR and INS spectra. Contributions of the hydrogen-bonded H 2 O 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.
- Published
- 2004
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