Laboratory spectroscopy of methoxymethanol in the millimeter-wave range

Abstract : Methoxymethanol, CH 3 OCH 2 OH is a very interesting candidate for the detection in the interstellar medium since it can be formed by the recombination reaction between two radicals considered as intermediates in the methanol formation: CH 3 O (already detected in the ISM) and CH 2 OH. It could be also formed by addition of CH 3 O on formaldehyde (another abundant compound in the ISM) followed by abstraction of a hydrogen radical. In this study, we present the first spectroscopic characterization of methoxymethanol in the millimeter-wave range augmented by high level quantum chemical calculations. The analysis revealed three stable conformations all exhibiting different large amplitude motions (LAM). For the analysis of the most stable conformation I we applied the model that accounts for hindered internal rotation of the methyl top. The analysis of the conformation III was performed taking the interaction between overall rotation and OH torsional motion into account. The conformation II was only tentatively assigned, as it exhibits several LAMs that significantly complicate theoretical description. Accurate spectroscopic parameters obtained in this study provide a reliable basis for the detection of methoxymethanol in the ISM.
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Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (8), pp.5509-5516. 〈10.1039/C7CP05932A〉
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Dernière modification le : mardi 3 juillet 2018 - 11:23:03

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Roman Motiyenko, Laurent Margulès, D. Despois, Jean-Claude Guillemin. Laboratory spectroscopy of methoxymethanol in the millimeter-wave range. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (8), pp.5509-5516. 〈10.1039/C7CP05932A〉. 〈hal-01730207〉

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