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Article Dans Une Revue Journal of Molecular Structure Année : 2020

Isotopic relations for tetrahedral and octahedral molecules

Résumé

The study and analysis of heavy spherical-top molecules is often not straightforward. The presence of hot bands and of many isotopologues can lead to a high line congestion very difficult for assignment. In this work, using a low-order model we have derived very simple isotopic relations in order to determine initial parameters of the analysis. We also show that an identical approach can be used for XY 4 and XY 6 molecules and all these results are illustrated by the comparison of numerical computations and experiments.
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Dates et versions

hal-03030693 , version 1 (30-11-2020)

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M. Loëte, Cyril Richard, V. Boudon. Isotopic relations for tetrahedral and octahedral molecules. Journal of Molecular Structure, 2020, 1206, pp.127729. ⟨10.1016/j.molstruc.2020.127729⟩. ⟨hal-03030693⟩
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