Partial photoionization cross sections of NH4 and H3O Rydberg radicals

Photoionization cross sections for various Rydberg series that correspond to ionization channels of ammonium and oxonium Rydberg radicals from the outermost, occupied orbitals of their respective ground states are reported. These properties are known to be relevant in photoelectron dynamics studies....

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Bibliographic Details
Published in:The Journal of chemical physics 2009-07, Vol.131 (2), p.024104-024104
Main Authors: Velasco, A M, Lavín, C, Martín, I, Melin, J, Ortiz, J V
Format: Article
Language:English
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Summary:Photoionization cross sections for various Rydberg series that correspond to ionization channels of ammonium and oxonium Rydberg radicals from the outermost, occupied orbitals of their respective ground states are reported. These properties are known to be relevant in photoelectron dynamics studies. For the present calculations, the molecular-adapted quantum defect orbital method has been employed. A Cooper minimum has been found in the 3sa(1)-kpt(2) Rydberg channel of NH(4) beyond the ionization threshold, which provides the main contribution to the photoionization of this radical. However, no net minimum is found in the partial cross section of H(3)O despite the presence of minima in the 3sa(1)-kpe and 3sa(1)-kpa(1) Rydberg channels. The complete oscillator strength distributions spanning the discrete and continuous regions of both radicals exhibit the expected continuity across the ionization threshold.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3168397