Document Detail

The Jahn-Teller effect in the 3pe' Rydberg state of H3: review of experimental and ab initio determinations.
MedLine Citation:
PMID:  23028155     Owner:  NLM     Status:  PubMed-not-MEDLINE    
The dissociative recombination (DR) of H(3)(+) ions with electrons, producing neutral atomic and molecular fragments, is driven primarily by the vibronic Jahn-Teller (JT) interaction between the electronic components of the pe' e(-)-H(3)(+) collision (Rydberg) channel. The JT parameters characterizing this interaction are therefore of great interest as they are required for the theoretical predictions of the DR cross section. In this contribution, we review various determinations of these quantities that have been made previously, based both on spectroscopic studies of 3pe' Rydberg-excited H(3) states, and on the analysis of the corresponding ab initio H(3) Rydberg potential surfaces near the conical intersection (D(3h) symmetry) for n=3-5. The highly correlated theoretical 3pe' potential surfaces of Mistrík et al. are used for a new determination of both the linear and quadratic JT terms.
Ch Jungen; M Jungen; S T Pratt
Related Documents :
23609955 - A modern solvation theory: quantum chemistry and statistical chemistry.
24020215 - Strong field control of predissociation dynamics.
23215005 - Confinement, transport gap, and valley polarization in graphene from two parallel decor...
21858475 - Variations in local elastic modulus along the length of the aorta as observed by use of...
15785805 - Theoretical study of aza-polycyclic aromatic hydrocarbons (aza-pahs), modelling carboca...
17602675 - Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potentia...
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Philosophical transactions. Series A, Mathematical, physical, and engineering sciences     Volume:  370     ISSN:  1364-503X     ISO Abbreviation:  Philos Trans A Math Phys Eng Sci     Publication Date:  2012 Nov 
Date Detail:
Created Date:  2012-10-02     Completed Date:  2012-11-13     Revised Date:  2013-04-24    
Medline Journal Info:
Nlm Unique ID:  101133385     Medline TA:  Philos Trans A Math Phys Eng Sci     Country:  England    
Other Details:
Languages:  eng     Pagination:  5074-87     Citation Subset:  -    
Laboratoire Aimé Cotton du CNRS, Bâtiment 505, Université de Paris-Sud, 91405 Orsay, France.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  Stabilization of H+-H2 collision complexes between 11 and 28 K.
Next Document:  Storage ring measurements of the dissociative recombination of H3+.