Conformational study of secondary organic aerosol precursors containing internal rotations: Cases of methyl anisole isomers

Jabri, Atef

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https://hdl.handle.net/2142/100456 Copy

Description

Title

Conformational study of secondary organic aerosol precursors containing internal rotations: Cases of methyl anisole isomers

Author(s)

Jabri, Atef

Contributor(s)

• Kleiner, Isabelle
• Nguyen, Ha Vinh Lam
• Stahl, Wolfgang
• Cuisset, Arnaud
• Mouret, Gaël
• Dhont, Guillaume
• Roucou, Anthony
• Fontanari, Daniele

Issue Date

2018-06-20

Keyword(s)

Conformers and isomers

Abstract

Methyl anisole (MA), also known as methoxytoluene, exists as three isomers with the ring methyl group in ortho, meta, and para position relative to the methoxy group. Despite the similarity of their chemical properties, the effect of methyl internal rotation which often depends on the steric and electronic surroundings can be completely different. In the other hand, This species is very important as a secondary organic aerosol precursor. In our present study, we focus on the millimeter wave studies on ortho, meta and para-methyl anisole in the 70-330 GHz frequency domain in order to complete the previous microwave studies between 2-40 GHz on the ground state \footnote{L. Ferres, H Mouhib, W. Stahl, and H. V. L. Nguyen, Methyl Internal Rotation in the Microwave Spectrum of o-Methyl Anisole. ChemPhysChem. 18, 1855–1859 (2017)}$^{,}$ \footnote{L. Ferres, W. Stahl, and H. V. L. Nguyen, Conformational Effects on the Torsional Barriers in m-Methylanisole Studied by Microwave Spectroscopy, accepted in J. Chem. Phys.}$^{,}$ \footnote{L. Ferres, W. Stahl, I. Kleiner, H. V. L. Nguyen, The effect of internal rotation in p-methyl anisole studied by microwave spectroscopy. J. Mol. Spectrosc. 343, 44–49 (2018)} and to determine internal rotation higher order parameters by analysis of the rotational structures in the excited states. Our millimeter wave spectra are measured at room temperature, which allow observing rotational structures in the ground and low-energy vibrationally excited states. Thus, we could determine precisely the $V_{6}$ potential barriers and evaluate their contributions.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/100456

DOI

10.15278/isms.2018.WJ03

Copyright and License Information

Copyright 2018 Atef Jabri

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