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Title:The Microwave Spectrum Of Monodeuterated Acetamide Ch2dc(=o)nh2
Author(s):Coudert, L.H.
Contributor(s):Guillemin, J.-C.; Møllendal, H.; Motiyenko, R.A.; Margulès, L.; Huet, T.R.; Gutle, C.; Konov, I.A.
Subject(s):Mini-symposium: Astronomical Molecular Spectroscopy in the Age of ALMA
Abstract:Acetamide is an oblate asymmetric top displaying almost free internal rotation of its methyl group. The microwave spectrum of the normal species (\chem{CH_3C(=O)NH_2}) has already been studied and a value\footnote{Ilyushin, Alekseev, Dyubko, Kleiner, and Hougen, {\em J.\ Molec.\ Spectrosc.}~{\bf 227} (2004) 115} of only 25~\wn\ was retrieved for the height of the potential barrier hindering the internal rotation. No spectroscopic results are available about the monodeutared species with a partially deuterated \chem{CH_2D} methyl group which will be the subject of the present talk. The effects of deuteration on the hindering potential\footnote{Lauvergnat, Coudert, Klee, and Smirnov, {\em J.\ Molec.\ Spectrosc.}~{\bf 256} (2009) 204} will be investigated first. They lead to qualitative changes of the hindering potential no longer resembling that of the normal species and displaying several inequivalent minima.\footnote{Margul\`es, Coudert, M\o llendal, Guillemin, Huet and Jane\v{c}kov\`a, {\em J.\ Molec.\ Spectrosc.}~{\bf 254} (2009) 55} A determination of the torsional potential will be attempted through an analysis of the microwave spectrum of the monodeuterated species in which torsion-rotation energies are calculated with the approach developed for monodeuterated methanol,\footnote{Coudert, Zemouli, Motiyenko, Margul\`es, and Klee, {\em J.\ Chem.\ Phys.}~{\bf 140} (2014) 064307} accounting for the torsion-rotation Coriolis coupling and for the dependence of the inertia tensor on the torsional angle. A low temperature spectrum, recorded with the MB-FTMW spectrometer in Lille, has already been analyzed and 14 transitions could be assigned up to $J=6$. Room temperature spectra have also been recorded in the 7--91 and 150--165~GHz frequency ranges and more than 100 transitions have been assigned up to $J=16$ for the ground torsional state. In the paper, deuteration effects will be discussed and we hope to assign a sufficient number of microwave transitions in order to obtain the first quantitative information about the hindering potential of monodeuterated acetamide.
Issue Date:2014-06-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Coudert, L.H.; Guillemin, J.; Møllendal, H.; Motiyenko, R.A.; Margulès, L.; Huet, T.R.; Gutle, C.; Konov, I.A. THE MICROWAVE SPECTRUM OF MONODEUTERATED ACETAMIDE CH2DC(=O)NH2. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.FA07
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License.
Date Available in IDEALS:2014-09-17

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