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Issue 37, 2016
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Radiative cooling of H3O+ and its deuterated isotopologues

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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.

Graphical abstract: Radiative cooling of H3O+ and its deuterated isotopologues

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Publication details

The article was received on 04 Jul 2016, accepted on 28 Aug 2016 and first published on 01 Sep 2016


Article type: Paper
DOI: 10.1039/C6CP04661D
Citation: Phys. Chem. Chem. Phys., 2016,18, 26268-26274
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    Radiative cooling of H3O+ and its deuterated isotopologues

    V. V. Melnikov, S. N. Yurchenko, J. Tennyson and P. Jensen, Phys. Chem. Chem. Phys., 2016, 18, 26268
    DOI: 10.1039/C6CP04661D

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