Intermolecular Vibrational Coupling A Model Calculation for the Out-of-Plane Vibration of CO3−-in Compounds with the Aragonite Structure

Autor:	E.-J. Zehnder, W. Sterzel
Rok vydání:	1982
Předmět:	Coupling Chemistry Aragonite Intermolecular force Infrared spectroscopy engineering.material Atomic and Molecular Physics and Optics Spectral line Analytical Chemistry Ion engineering Atomic physics Rotational–vibrational coupling Quantum Spectroscopy
Zdroj:	Spectroscopy Letters. 15:463-480
ISSN:	1532-2289 0038-7010
DOI:	10.1080/00387018208062671
Popis:	13CO3 −- substituted compounds with the aragonite structure show a fine structure of the out-of-plane vibration in the infrared spectra. A simple quantum mechanical model of coupled oscillators is developed to describe quantitatively the observed spectra. The spectra can be interpreted in terms of isolated 12CO 3 −- and 13CO3 −- clusters, whose eigenfunctions interact. The heavy ions have localized vibrations, whereas clusters of the light ion with more than one ion show only localized vibrations at small coupling; stronger coupling results in resonant modes. Intensitytransfer from light to heavy ion bands is explained and the consequences of interaction between different clusters are discussed.
Databáze:	OpenAIRE
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