Spectrum and decay of the doubly charged water ion

Ion–ion coincidence measurements on H2O, HDO, and D2O ionized by Heii light show that the main ion-pair dissociations from low-lying states of H2O2+ lead to OH++H+ and H++H++O. Distinct states of H2O2+ are deduced to be at 36.5±1 and at 42±1 eV above the H2O ground state. Double charge transfer meas...

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Bibliographic Details
Published in:The Journal of chemical physics 1986-03, Vol.84 (6), p.3189-3194
Main Authors: RICHARDSON, P. J, ELAND, J. H. D, FOURNIER, P. G, COOPER, D. L
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Photon interactions with molecules
Physics
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Summary:Ion–ion coincidence measurements on H2O, HDO, and D2O ionized by Heii light show that the main ion-pair dissociations from low-lying states of H2O2+ lead to OH++H+ and H++H++O. Distinct states of H2O2+ are deduced to be at 36.5±1 and at 42±1 eV above the H2O ground state. Double charge transfer measurements show two sets of singlet states of H2O2+ at 41.4 and 45 eV in agreement with the Auger spectrum. New ab initio calculations predict a vertical appearance energy of 39.2 eV for the H2O2+ ion in its 3B1 ground state, but show a very strong geometry dependence, and give an adiabatic value near 36.3 eV, in agreement with experiment.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.450808