Melnikov, VV;
Yurchenko, SN;
Tennyson, J;
Jensen, P;
(2016)
Radiative cooling of H3O(+) and its deuterated isotopologues.
Physical Chemistry Chemical Physics
, 18
(37)
pp. 26268-26274.
10.1039/c6cp04661d.
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Abstract
In conjunction with ab initio potential energy and dipole moment surfaces for the electronic ground state, we have made a theoretical study of the radiative lifetimes for the hydronium ion H3O(+) and its deuterated isotopologues. We compute the ro-vibrational energy levels and their associated wavefunctions together with Einstein coefficients for electric dipole transitions. A detailed analysis of the stability of the ro-vibrational states has been carried out and the longest-living states of the hydronium ions have been identified. We report estimated radiative lifetimes and cooling functions for temperatures <200 K. A number of long-living meta-stable states are identified, capable of population trapping.
| Type: | Article |
|---|---|
| Title: | Radiative cooling of H3O(+) and its deuterated isotopologues |
| Location: | England |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1039/c6cp04661d |
| Publisher version: | http://doi.org/10.1039/c6cp04661d |
| Language: | English |
| Additional information: | This journal is © the Owner Societies 2016. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences 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/1516123 |
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