2008•Polish Journal of ChemistryRequires access

Influence of Rotational - Vibrational Coupling on Shape of Rovibrational Bands

P. Dudziec, Jerzy Konarski

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Abstract

The integrated absorption coefficient ofrovibrational bands is calculated for three different cases, namely for separated rotational and vibrational motions, for the non-rigid model which takes into account the coupling between above mentioned motions using the Kratzer-Fues potential and the soft body model, for which only rovibrational states exist. It is shown that the shape of P and R bands for higher rotational quantum numbers depends on the applied model of rotational - vibrational transitions.

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What this paper is about

The integrated absorption coefficient ofrovibrational bands is calculated for three different cases, namely for separated rotational and vibrational motions, for the non-rigid model which takes into account the coupling between above mentioned motions using the Kratzer-Fues potential and the soft body model, for which only rovibrational states exist. It is shown that the shape of P and R bands for higher rotational quantum numbers depends on the applied model of rotational - vibrational transitions.

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Available abstract

The integrated absorption coefficient ofrovibrational bands is calculated for three different cases, namely for separated rotational and vibrational motions, for the non-rigid model which takes into account the coupling between above mentioned motions using the Kratzer-Fues potential and the soft body model, for which only rovibrational states exist. It is shown that the shape of P and R bands for higher rotational quantum numbers depends on the applied model of rotational - vibrational transitions.

Key concepts: Rotational–vibrational spectroscopy, Chemistry, Rotational partition function, Coupling (piping), Atomic physics, Quantum number, Molecular physics, Rotational transition

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