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Title:Terahertz spectroscopy of deuterated acetaldehyde: CH2DCHO
Author(s):Margulès, L.
Contributor(s):Guillemin, J.-C.; Coudert, L.H.; Motiyenko, R.A.
Subject(s):Mini-symposium: Astronomical Molecular Spectroscopy in the Age of ALMA
Abstract:This study follows our recent investigations about deuterated methyl-top species of complex organic molecules: methanol,\footnote{Coudert, L. H.; {\em et al.} {\em J. Chem. Phys.}~{\bf140}, (2014) 64307} methyl formate,\footnote{Coudert, L. H.; {\em et al.} {\em ApJ}~{\bf779}, (2013) 119} and dimethyl ether.\footnote{Richard, C.; {\em et al.} {\em A\&A}~{\bf552}, (2013) A117} In particular these works led the first ISM detection of \chem{HCOOCH_2D} and \chem{CH_2DOCH_3}. Acetaldehyde is not very abundant in the ISM, but this is a very interesting case from the spectroscopic point of view as it is an intermediate case between methyl formate and methanol. In the normal species of acetaldehyde, the barrier to internal rotation\footnote{Smirnov, I. A.; {\em et al.} {\em J. Mol. Spectrosc.} ~{\bf295} (2014) 44} V$_3$ is 408cm$^{-1}$ which is close to the value in methyl formate\footnote{Ilyushin, V.; {\em et al.} {\em J. Mol. Spectrosc.} ~{\bf255} (2009) 32}: 373 cm$^{-1}$. However, the value of the Coriolis coupling constant $\rho$ is 0.33 in acetaldehyde which is a much larger value than in methyl formate, 0.08, meaning that the coupling between the torsion and the overall rotation is more important. \\ The sample was not a commercial one and half of its amount is the normal species which leads to a more difficult line assignment. The spectra were recorded in Lille between 75 and 950~GHz with a solid-state submillimeter-wave spectrometer. The starting point of the analysis was the centimeter-wave measurements carried out for the sym and asym- conformers.\footnote{Turner, P. H.; and Cox, A. P. {\em Chem. Phys. Lett.}~{\bf42}, (1976) 84 - Turner, P. H.; Cox, A. P.; and Hardy, J. A. {\em J.C.S. Farady Trans.}~{\bf2}, (1981) 1217} A comparison between the approach developed for deuterated methyl formate (\chem{HCOOCH_2D}), based on the water dimer formalism, and that designed recently for deuterated methanol$^{a}$ (\chem{CH_2DOH}) will be presented.\\ \em{This work is supported by the CNES and the Action sur Projets de l'INSU, PCMI.}
Issue Date:2014-06-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Margulès, L.; Guillemin, J.; Coudert, L.H.; Motiyenko, R.A. TERAHERTZ SPECTROSCOPY OF DEUTERATED ACETALDEHYDE: CH2DCHO. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.FA08
Genre:Conference Paper / Presentation
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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