Shirin, S.V.;
Zobov, N.F.;
Polyansky, O.L.;
Tennyson, J.;
Parekunnel, T.;
Bernath, P.F.;
(2004)
Analysis of hot D2O emission using spectroscopically determined potentials.
Journal of Chemical Physics
, 120
(1)
pp. 206-210.
10.1063/1.1630032.
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Abstract
Fourier transform emission spectra of D2O vapor were recorded at a temperature of 1500 °C in the wavenumber range 380–1880 cm–1. 15 346 lines were measured, of which the majority were identified as belonging to D2O. The spectrum was analyzed using variational nuclear motion calculations based on spectroscopically determined potential-energy surfaces. Initial assignments were made using a potential surface obtained by fitting a high accuracy ab initio potential. The new assignments were used to refine the potential surface, resulting in additional assignments. A total of 6400 D2O transitions were assigned and 2144 new D2O energy levels were obtained. Transitions involving the 42 and 52 bending states, with band origins of 4589.30 (±0.02) and 5679.6 (±0.1) cm–1, respectively, were assigned for the first time.
| Type: | Article |
|---|---|
| Title: | Analysis of hot D2O emission using spectroscopically determined potentials |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.1630032 |
| Publisher version: | http://dx.doi.org/10.1063/1.1630032 |
| Language: | English |
| Additional information: | Copyright 2004 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. |
| UCL classification: | UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1301 |
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