Miani, A.;
Tennyson, J.;
(2004)
Can ortho-para transitions for water be observed?
Journal of Chemical Physics
, 120
(6)
pp. 2732-2739.
10.1063/1.1633261.
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Abstract
The spectrum of water can be considered as the juxtaposition of the spectra of two molecules, with different total nuclear spin: ortho–H2O, and para–H2O. No transitions have ever been observed between the two different nuclear-spin isotopomers. The interconversion time is unknown and it is widely assumed that interconversion is forbidden without some other intervention. However, weak nuclear spin–rotation interaction occurs and can drive ortho to para transitions. Ab initio calculations show that the hyperfine nuclear spin–rotational coupling constants are about 30 kHz. These constants are used to explore the whole vibration–rotation spectrum with special emphasis on the coupling between nearby levels. Predictions are made for different spectral regions where the strongest transitions between ortho and para levels of water could be experimentally observed.
| Type: | Article |
|---|---|
| Title: | Can ortho-para transitions for water be observed? |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.1633261 |
| Publisher version: | http://dx.doi.org/10.1063/1.1633261 |
| 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/1305 |
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