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Title:A MINTY MICROWAVE MENAGERIE: THE ROTATIONAL SPECTRA OF MENTHONE, MENTHOL, CARVACROL, AND THYMOL
Author(s):Schnell, Melanie
Contributor(s):Giuliano, Barbara Michela; Betz, Thomas; Shubert, V. Alvin; Schmitz, David
Subject(s):Conformers, isomers, chirality, stereochemistry
Abstract:Terpenes represent one of the largest classes of secondary metabolites in nature and are derived from adding substituents to their core building block, isoprene. They exhibit a huge assortment of structures and thus a variety of chemical and biological activities. We recently investigated a number of monoterpenoids using broadband rotational spectroscopy in the 2-8.5 GHz frequency range. begin{wrapfigure}{r}{0pt} includegraphics[scale=0.7]{menthone_spec_2.eps} end{wrapfigure} We present a comparative study of the aromatic monoterpenoids thymol and carvacrol and aliphatic menthone and menthol. The differences in their electronic and steric structures significantly influence molecular properties such as internal rotation barriers and conformational flexibility. These influences are revealed in the rotational spectra. We report the rotational spectra and the experimentally determined molecular parameters. Results from extensive quantum chemical calculations of the conformational spaces of these molecules are compared with the experimentally determined molecular parameters.
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/2142/79159
Date Available in IDEALS:2016-01-05


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