Internal Rotation Analysis And Structural Determination Of R-carvone

Moon, Nicole

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https://hdl.handle.net/2142/116580 Copy

Description

Title

Internal Rotation Analysis And Structural Determination Of R-carvone

Author(s)

Moon, Nicole

Contributor(s)

Grubbs II, G. S.

Issue Date

2022-06-23

Keyword(s)

Structure determination

Abstract

When the spectrum of R-carvone was collected at Missouri S\&T in preparation for a three-wave mixing experiment, splittings within the rotational transitions were observed that were unreported in the original study of S-carvone by Moreno et al.\footnote{Moreno, J. R. A.; Huet, T. R.; Gonz\'{a}lez, J. J. L. Struct Chem. 2013, 24, 1163.} It was discovered that these splittings were due to internal rotations caused by two non-equivalent methyl rotors. This promoted a re-investigation into the pure rotational spectrum of R-carvone using chirped-pulse, Fourier transform microwave (CP-FTMW) spectroscopy within the 5-18 GHz region of the electromagnetic spectrum. Spectral analyses were performed using a combination of the SPFIT\footnote{Pickett, H. M. J. Mol. Spectrosc. 1991, 148, 371-377.} and XIAM\footnote{H. Hartwig and H. Dreizler, Z. Naturforsch 51a, 923-932 (1996).} software packages. Current work on the parent and singly substituted isotopologue species for the EQ1 and EQ2 conformers will be reported. In addition, the potential energy barrier heights to internal rotation for both rotors have been analyzed and will be discussed.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Handle URL

https://hdl.handle.net/2142/116580

DOI

https://doi.org/10.15278/isms.2022.RL03

Copyright and License Information

Copyright 2022 held by the authors

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