Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1407611 | Journal of Molecular Structure | 2006 | 20 Pages |
Abstract
The rotational spectrum of CD3OD in its ground and first excited torsional states has been recorded in three frequency windows 78-119, 705-750, and 812-903Â GHz in order to improve our model Hamiltonian [L.-H. Xu, H.S.P. Müller, F.F.S. van der Tak and S. Thorwirth, J. Mol. Spectrosc. 228 (2004) 220-229] that had been developed for searching for CD3OD in the interstellar medium. In the present study, 103 transitions for vt=0 and 82 transitions for vt=1 have been assigned, reaching J and K quantum numbers of 25 and 14, respectively. The observed and calculated transition frequencies in the ground and first excited torsional states agree on the average to within â¼100 and 200Â kHz, respectively. Thus, the majority of the transitions, particularly those in the ground torsional state, could be reproduced within or close to their experimental uncertainties of 20-100Â kHz. The reproduction of the data proved to be more challenging at higher J and K, particularly in the first excited torsional state, where the data set is more sparse than at lower quantum numbers.
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Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Holger S.P. Müller, Li-Hong Xu, Floris van der Tak,