Laboratory spectroscopy of methoxymethanol in the millimeter-wave range

被引:25
作者
Motiyenko, Roman A. [1 ]
Margules, Laurent [1 ]
Despois, Didier [2 ]
Guillemin, Jean-Claude [3 ]
机构
[1] Univ Lille 1 Sci & Technol, Lab Phys Lasers Atomes & Mol, UMR 8523, CNRS, Villeneuve Dascq, France
[2] Univ Bordeaux, CNRS, Lab Astrophys Bordeaux, Pessac, France
[3] Inst Sci Chim Rennes, CNRS, UMR 6226, ENSCR, Rennes, France
关键词
O(D-1) INSERTION REACTIONS; MICROWAVE-SPECTRUM; EXCITED-STATES; METHANOL; APPROXIMATION; ALCOHOL;
D O I
10.1039/c7cp05932a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Methoxymethanol, CH3OCH2OH is a very interesting candidate for detection in the interstellar medium since it can be formed in the recombination reaction between two radicals considered as intermediates in methanol formation: CH3O (already detected in the ISM) and CH2OH. It could also be formed by the addition of CH3O to 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 (LAMs). For the analysis of the most stable conformation (I) we applied a model that accounts for hindered internal rotation of the methyl top. The analysis of conformation III was performed taking the interaction between the overall rotation and OH torsional motion into account. Conformation II was only tentatively assigned, as it exhibits several LAMs that significantly complicate the theoretical description. Accurate spectroscopic parameters obtained in this study provide a reliable basis for the detection of methoxymethanol in the ISM.
引用
收藏
页码:5509 / 5516
页数:8
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