Combined vibrational spectra of natural wardite
| Autor: | János Mink, Stewart F. Parker, H.-H. Belz, R. G. Schwab, Viktória Komlósi, G. Brehm, László Hajba, Dietrich K. Breitinger, D. Colognesi |
|---|---|
| Rok vydání: | 2004 |
| Předmět: |
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 |
| Zdroj: | Journal of molecular structure 706 (2004): 95–99. doi:10.1016/j.molstruc.2004.01.039 info:cnr-pdr/source/autori:Breitinger D. K. (a); Belz H.-H. (b); Hajba L. (c); Komlósi V. (c); Mink J. (c); Brehm G. (d); Colognesi D. (e)*; Parker S. F. (e); Schwab R. G. (f)/titolo:Combined vibrational spectra of natural wardite/doi:10.1016%2Fj.molstruc.2004.01.039/rivista:Journal of molecular structure (Print)/anno:2004/pagina_da:95/pagina_a:99/intervallo_pagine:95–99/volume:706 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2004.01.039 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect