Laboratory spectroscopy of methoxymethanol in the millimeter-wave range

Literature Information

Publication Date 2017-10-24
DOI 10.1039/C7CP05932A
Impact Factor 3.676
Authors

Roman A. Motiyenko, Laurent Margulès, Didier Despois, Jean-Claude Guillemin


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Abstract

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.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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