Two-phonon excitations in IR and NIR spectra of alunites

被引：7

作者：

Breitinger, DK

Schukow, H

Belz, HH

Mohr, J

Schwab, RG

机构：

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

[2] Univ Erlangen Nurnberg, Inst Geol & Mineral, D-91054 Erlangen, Germany

[3] Nicolet Instrument GMBH, D-63069 Offenbach, Germany

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 481卷

关键词：

alunites; solid state vibrational spectra; NIR spectra; two-phonon excitations; anharmonicity;

D O I：

10.1016/S0022-2860(98)00724-8

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：

Binary gerade-ungerade combinations of the fundamentals nu(OH/OD), delta(perpendicular to)(OH/OD), delta(parallel to)(OH/OD), and nu(SO4), observed in IR and NIR spectra of alunite KAl3(OH)(6)(SO4)(2), of its isotopomer alunite-d(6) and of related compounds are discussed. With the nu(OH/OD) frequencies an anharmonicity analysis has been carried out. Calculation of overtone frequencies with consideration of anharmonicity and comparison of these values with the observed three quasi-overtones of nu(OH/OD) in the NIR spectra (actually combinations of die Raman- and IR-active fundamentals nu(OH/OD)) suggest that these quasi-overtones are strongly perturbed by resonances. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：677 / 682

页数：6

共 6 条

[1] Vibrational spectra of synthetic minerals of the alunite and crandallite type [J].