The cp-ftmw spectrum of 1-chloromethyl-1-fluorosilacyclopentane
Pulliam, Tiara
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https://hdl.handle.net/2142/107403
Description
Title
The cp-ftmw spectrum of 1-chloromethyl-1-fluorosilacyclopentane
Author(s)
Pulliam, Tiara
Contributor(s)
Grubbs II, G. S.
Guirgis, Gamil A
McFadden, Thomas M. C.
Marshall, Frank E
Issue Date
2020-06-24
Keyword(s)
Conformers and isomers
Abstract
Following a series of previously studied silicon-containing ring molecules, the rotational spectra of 1-chloromethyl-1-fluorosilacyclopentane were observed on a CP-FTMW spectrometer in the 6-18 GHz region. Using quantum chemical computational approaches, the molecule has multiple predicted stable conformers with both trans and gauche positions of the chlorine/fluorine pair with the gauche typically being largest in dipole, but the trans being lowest in energy. This presentation will discuss the observed conformers in the spectra and attempt to make predictions on which conformers are the most stable using spectral intensity arguments and comparisons to the quantum chemical calculations. Furthermore, the structure of this molecule will be compared to the previous silicon-containing ring molecules made by this group as well as others.
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