University of Illinois Urbana-Champaign

Internal Rotation Analysis And Structural Determination Of R-carvone

Moon, Nicole

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RL03_1.pptx
6081.pdf

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

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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
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116580
DOI
https://doi.org/10.15278/isms.2022.RL03
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Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY