English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/73099
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:

Vibrational predissociation of ArCI2: Toward the determination of the potential energy surface of the B state

AuthorsJanda, Kenneth C.; Roncero, Octavio ; Halberstadt, Nadine
Issue Date1996
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 105: 5830- 5841 (1996)
AbstractAccurate quantum mechanical calculations are carried out to test the sensitivity of the spectroscopy and dynamics of the B state of ArCl2 to the steepness of the Morse term, α, of an atom-atom potential. It is discovered that the predissociation dynamics for this molecule are very complicated even in the Δν = -1 regime due to resonances in the continuum manifold of states. In both the Δν = -1 regime and the Δν = -2 regime the rate of vibrational predissociation and the product rotational distribution are extremely sensitive to the value chosen for α, but not in a regular way. For the Δν = -2 regime the variations can be attributed to spacings between resonances and the overlaps of the bright state wave functions with nearby dark states as expected from the intramolecular vibrational relaxation model. In the Δν = -1 regime, the variations are shown to originate from resonances in the ν - 1 continuum set of states. Although this makes it difficult to determine the value for α, a value of 1.8 Å-1 is probably close to the true value. The most useful new data to determine the potential would be measurements of the lifetimes for as many vibrational levels as possible and rotational distributions for excitation to low vibrational levels of the B state. © 1996 American Institute of Physics.
Identifiersdoi: 10.1063/1.472425
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
Files in This Item:
File Description SizeFormat 
Janda.pdf537,35 kBAdobe PDFThumbnail
Show full item record

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.