Heidelberg 2015 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 23: Progress on Various Topics in Molecular Physics
MO 23.1: Vortrag
Freitag, 27. März 2015, 11:00–11:15, PH/SR106
Torsion and Bending Motion of 13C Substituted Dimethyl Ether — •Pia Kutzer1, Olivier Pirali2, Pascale Roy2, and Thomas Giesen1 — 1Universität Kassel, Institut für Physik, Heinrich-Plett Str. 40, D-34132 — 2Socièté civile Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin - BP 48, F-91192 Gif Sur Yvette Cedex
Dimethyl ether (DME) shows large amplitude internal motion. The internal torsion of both methyl groups exhibits strong coupling effects of the rotors and with the C-O-C in plane bending mode.
The molecule is well-studied by means of high resolution spectroscopy, although there are still some important open questions left, especially in case of the 13C substituted species. Calculated band centre frequencies of the torsional motion obtained from high level ab initio calculations still deviate from experimental values, and comparison to 13C substituted species was so far restricted to few measurements of pure rotational transitions.
Recently, we recorded first high resolution broadband spectra of singly and doubly 13C substituted DME using a FT-IR spectrometer at SOLEIL synchrotron laboratories. We also recorded spectra of these species at Kassel at a lower resolution.
Here we present our ongoing analysis of the C-O-C bending mode of the three isotopologues and preliminary results for the first torsionally excited states.
Our measurements and analyses will help to foster quantum chemical modelling of large amplitude motion.