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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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