Resonances in photoabsorption: Predissociation line shapes in the 3pπD{sup 1}Π{sup +}{sub u} ← Χ{sup 1}Σ{sub g}{sup +} system in H{sub 2}
- Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay (France)
- Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France (France)
- Sorbonne Universités, UPMC Univ. Paris 06, UMR 8112, Laboratoire d’Etudes du Rayonnement et de la Matière en Astrophysique et Atmosphères, F-75005 Paris (France)
The predissociation of the 3pπD{sup 1}Π{sub u}{sup +},v≥3,N=1, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally.
- OSTI ID:
- 22420022
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 6 Vol. 141; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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