THE MICROWAVE SPECTRUM OF METHYL VINYL KETONE REVISITED
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Date
2011
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Publisher
Ohio State University
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.
Description
Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN, 47907