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 Title: ISOTOPIC RELATIONS FOR TETRAHEDRAL AND OCTAHEDRAL MOLECULES Author(s): Boudon, Vincent Contributor(s): Richard, Cyril ; Loete, Michel Subject(s): Small molecules Abstract: \begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.25]{Fig_iso_RuO4.eps} \end{wrapfigure} ~ 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$_6$. ~ Reference: M. Lo\"ete, C. Richard and V. Boudon, {\em J. Mol . Struct.\/} {\bf 1206}, 127729 (2020). Issue Date: 23-Jun-20 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/107306 Date Available in IDEALS: 2020-06-26
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