The rotational spectrum up to 1 THz and the molecular structure of thiomethylium, HCS
2003 | journal article. A publication with affiliation to the University of Göttingen.
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The rotational spectrum up to 1 THz and the molecular structure of thiomethylium, HCS
Margules, L.; Lewen, F.; Winnewisser, G.; Botschwina, P. & Mueller, H. (2003)
Physical Chemistry Chemical Physics, 5(13) pp. 2770-2773. DOI: https://doi.org/10.1039/b303260d
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Details
- Authors
- Margules, L.; Lewen, F.; Winnewisser, G.; Botschwina, Peter; Mueller, HSP
- Abstract
- The rotational spectra of HCS+, DCS+, and (HCS+)-S-34 have been investigated using a newly constructed ion cell in selected regions between 0.46 and 0.94 THz. 23 transitions covering the quantum numbers 10 less than or equal to J" less than or equal to 25 have been used in a combined fit together with previous data to improve the rotational and quartic centrifigal distortion constants B-0 and D-0, respectively. High J transitions have been measured specifically to obtain an estimate of the sextic distortion constant H-0. Vibration rotation coupling constants alpha(i) were obtained from coupled cluster calculations. They were used to determine a mixed experimental/ab initio equilibrium structure r(e).
- Issue Date
- 2003
- Status
- published
- Publisher
- Royal Soc Chemistry
- Journal
- Physical Chemistry Chemical Physics
- ISSN
- 1463-9076
