Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5415722 | Journal of Molecular Spectroscopy | 2008 | 12 Pages |
Abstract
The rovibrational assignment of the 1179 lines attributed to the HDO isotopologue was based on the results of the variational calculations of Schwenke and Partridge as well as the recent calculations based on a new HDO potential energy surface refined from the fitting to the available experimental data. The overall agreement between these new calculations and the observed spectrum is very good, the rms deviation of the differences between the calculated and observed energy values being 0.05Â cmâ1. A set of 304 new experimental HDO energy levels was obtained. In particular, band origins for the (1Â 2Â 2), (2Â 0Â 2), and (3Â 1Â 1) vibrational states, at 12Â 568.190, 12Â 644.652, and 12Â 919.938Â cmâ1, respectively, and their rotational sublevels are derived for the first time. A detailed HDO database of 1337 transitions was constructed and is provided as Supplementary Material.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
O.V. Naumenko, B.A. Voronin, F. Mazzotti, J. Tennyson, A. Campargue,