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application/vnd.openxmlformats-officedocument.presentationml.presentation ![]() | Presentation | Microsoft PowerPoint 2007 |
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Description
Title: | ROTATIONAL SPECTRUM OF THE METHYL SALICYLATE-WATER COMPLEX: THE MISSING CONFORMER AND THE TUNNELING MOTIONS |
Author(s): | Jハger, Wolfgang |
Contributor(s): | Xu, Yunjie; Thomas, Javix; Ghosh, Supriya |
Subject(s): | Conformers, isomers, chirality, stereochemistry |
Abstract: | Methyl salicylate is a naturally occurring organic ester produced by wintergreen and other plants. It is also found in many over-the-counter remedies, such as muscle ache creams. The rotational spectrum of the methyl salicylate monomer was reported previously, where the most stable, dominant conformer was identified.footnote{ S. Melandri, B. M. Giuliano, A. Maris, L. B. Favero, P. Ottaviani, B. Velino, W. Caminati, J. Phys. Chem. A. 2007, 111, 9076.} The methyl salicylate-water complex was first studied using fluorescence-detected infrared spectroscopy; only one monohydrate conformer was found in that work.footnote{ A. Mitsuzuka, A. Fujii, T. Ebata, N. Mikami, J. Phys. Chem. A 1998, 102, 9779.} In the present study, we employed both broadband chirped and cavity based Fourier transform microwave spectroscopy to examine the competition between intra- and intermolecular hydrogen-bonding interactions and possible large amplitude motions associated with the methyl group and the water subunit. In contrast to the previous infrared study, two monohydrate conformers were identified, with carbonyl O or hydroxyl O as the hydrogen bond acceptors. Detailed analyses of the observed hyperfine structures will be presented, as well as our efforts to extend the study to larger methyl salicylate hydration clusters. |
Issue Date: | 23-Jun-15 |
Publisher: | International Symposium on Molecular Spectroscopy |
Citation Info: | ACS |
Genre: | Conference Paper / Presentation |
Type: | Text |
Language: | English |
URI: | http://hdl.handle.net/2142/79330 |
Date Available in IDEALS: | 2016-01-05 |