A MINTY MICROWAVE MENAGERIE: THE ROTATIONAL SPECTRA OF MENTHONE, MENTHOL, CARVACROL, AND THYMOL

Schnell, Melanie

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https://hdl.handle.net/2142/79159 Copy

Description

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

Issue Date

23-Jun-15

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79159

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