ISOTOPIC RELATIONS FOR TETRAHEDRAL AND OCTAHEDRAL 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).