Combined vibrational spectra of natural wardite

被引：24

作者：

Breitinger, DK

Belz, HH

Hajba, L

Komlósi, V

Mink, J

Brehm, G

Colognesi, D

Parker, SF

Schwab, RG

机构：

[1] Univ Erlangen Nuernberg, Inst Inorgan Chem, D-91058 Erlangen, Germany

[2] Thermo Electron, D-63303 Dreieich, Germany

[3] Hungarian Acad Sci, Chem Res Ctr, Mol Spect Dept, H-1525 Budapest, Hungary

[4] Inst Phys Chem, D-91058 Erlangen, Germany

[5] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England

[6] Inst Geol & Mineral, D-91054 Erlangen, Germany

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2004年 / 706卷 / 1-3期

关键词：

wardite; IR and NIR spectra; Raman spectra; inelastic neutron scattering spectra; anharmonicity;

D O I：

10.1016/j.molstruc.2004.01.039

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Vibrational spectra (IR, Raman, inelastic neutron scattering) were measured of natural wardite (ideal formula NaAl3(OH)(4)(PO4)(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 nu(OH) region is due to two different Al2OH groups and their correlation coupling; their deformations delta and gamma are assigned based on IR and INS spectra. Contributions of the hydrogen-bonded H2O molecules are discussed, as are the vibrations of the AlO6 octahedra dominating the Raman spectrum. From the fundamentals nu(OH) of the OH groups and their overtones anharmonicity constants have been estimated. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：95 / 99

页数：5

共 15 条

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