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Title: 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}

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.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [5]
  1. Laboratoire Aimé-Cotton du CNRS Université Paris Sud, Bât. 505, F-91405 Orsay (France)
  2. (France)
  3. Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France (France)
  4. 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)
  5. (United Kingdom)
Publication Date:
OSTI Identifier:
22420022
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION; ABSORPTION SPECTRA; FINE STRUCTURE; HYDROGEN; PREDISSOCIATION; RESONANCE; SYNCHROTRONS