Isotopic relations for tetrahedral and octahedral molecules
Boudon, Vincent
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https://hdl.handle.net/2142/107306
Description
Title
Isotopic relations for tetrahedral and octahedral molecules
Author(s)
Boudon, Vincent
Contributor(s)
Richard, Cyril
Loete, Michel
Issue Date
2020-06-23
Keyword(s)
Small molecules
Abstract
\begin{wrapfigure}{r}{0pt}
\includegraphics[scale=0.25]{Fig_iso_RuO4.eps}
\end{wrapfigure}
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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 for different molecules: CH$_4$, GeH$_4$, RuO$_4$ (as shown in the figure on the right) and SF$_6$.
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Reference: M. Lo\"ete, C. Richard and V. Boudon, {\em J. Mol . Struct.\/} {\bf 1206}, 127729 (2020).
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