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THE MICROWAVE SPECTRUM OF METHYL VINYL KETONE REVISITED

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/49369

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Title: THE MICROWAVE SPECTRUM OF METHYL VINYL KETONE REVISITED
Creators: Wilcox, David S.; Shirar, Amanda J.; Williams, Owen L.; Dian, Brian C.
Issue Date: 2011
Abstract: A chirped-pulse Fourier transform microwave spectrometer was used to record the rotational spectrum of methyl vinyl ketone (MVK, 3-butene-2-one) from 6 to 18.9 GHz. Two stable conformations were identified: the previously documented \textit{anti}periplanar (\textit{ap}) conformer and \textit{syn}periplanar (\textit{sp}), which is reported for the first time in this microwave study. Methyl torsional analysis with XIAM resulted in $V_{3}$ barrier heights of 433.8(1) and 376.6(2) cm$^{-1}$ for \textit{ap}- and \textit{sp}-MVK, respectively. Heavy atom isotopic species were detected in natural abundance allowing bond lengths and angles of the molecular frames to be calculated through Kraitchman analysis. A comparison with \textit{ab initio} calculations is included.
URI: http://hdl.handle.net/1811/49369
Other Identifiers: 2011-RH-11
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