An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation

The UV photolysis of Ar-HCl is simulated by an exact wave packet calculation. Partial fragmentation of the cluster into H and Ar-Cl fragments is studied by projecting out the asymptotic wave packet onto the product states, at several excitation energies in the range of the Ar-HCl absorption spectrum...

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Detalles Bibliográficos
Autores: Juanes-Marcos, J.C., García Vela, Alberto
Tipo de recurso: artículo
Fecha de publicación:2000
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/96225
Acceso en línea:http://hdl.handle.net/10261/96225
Access Level:acceso abierto
Palabra clave:Excitation energies
Photodissociation
Absorption spectra
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spelling An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociationJuanes-Marcos, J.C.García Vela, AlbertoExcitation energiesPhotodissociationAbsorption spectraThe UV photolysis of Ar-HCl is simulated by an exact wave packet calculation. Partial fragmentation of the cluster into H and Ar-Cl fragments is studied by projecting out the asymptotic wave packet onto the product states, at several excitation energies in the range of the Ar-HCl absorption spectrum. The partial fragmentation pathway is found to dominate the photolysis process at very low excitation energies, and to be intense also at high energies. At medium excitation energies the other competing fragmentation pathway, namely total fragmentation into H, Ar, and Cl, dominates almost completely the photodissociation dynamics. The relative intensity of the two fragmentation pathways depends on the extent to which the hydrogen is initially blocked by Ar and Cl. The Ar-Cl radicals are produced with high rotational and low vibrational excitation at most of the Ar-HCl energies studied. The internal energy distributions of Ar-Cl show remarkable differences in shape depending on the regions of the absorption spectrum which are excited. This effect can be exploited to control both the efficiency of Ar-Cl generation and the internal excitation of the radical prepared, by changing the excitation energy of the parent cluster. © 2000 American Institute of Physics.This work was supported by D.G.I.C.Y.T., Spain, Grant No. PB95-0071, and by the European network TMR, Grant No. FMRX-CT96-0088.Peer ReviewedAmerican Institute of Physics2014201420002014info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501http://hdl.handle.net/10261/96225reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglésinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/962252026-05-22T06:33:51Z
dc.title.none.fl_str_mv An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
title An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
spellingShingle An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
Juanes-Marcos, J.C.
Excitation energies
Photodissociation
Absorption spectra
title_short An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
title_full An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
title_fullStr An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
title_full_unstemmed An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
title_sort An energy-resolved study of the partial fragmentation dynamics of Ar-HCl into H+Ar-Cl after ultraviolet photodissociation
dc.creator.none.fl_str_mv Juanes-Marcos, J.C.
García Vela, Alberto
author Juanes-Marcos, J.C.
author_facet Juanes-Marcos, J.C.
García Vela, Alberto
author_role author
author2 García Vela, Alberto
author2_role author
dc.subject.none.fl_str_mv Excitation energies
Photodissociation
Absorption spectra
topic Excitation energies
Photodissociation
Absorption spectra
description The UV photolysis of Ar-HCl is simulated by an exact wave packet calculation. Partial fragmentation of the cluster into H and Ar-Cl fragments is studied by projecting out the asymptotic wave packet onto the product states, at several excitation energies in the range of the Ar-HCl absorption spectrum. The partial fragmentation pathway is found to dominate the photolysis process at very low excitation energies, and to be intense also at high energies. At medium excitation energies the other competing fragmentation pathway, namely total fragmentation into H, Ar, and Cl, dominates almost completely the photodissociation dynamics. The relative intensity of the two fragmentation pathways depends on the extent to which the hydrogen is initially blocked by Ar and Cl. The Ar-Cl radicals are produced with high rotational and low vibrational excitation at most of the Ar-HCl energies studied. The internal energy distributions of Ar-Cl show remarkable differences in shape depending on the regions of the absorption spectrum which are excited. This effect can be exploited to control both the efficiency of Ar-Cl generation and the internal excitation of the radical prepared, by changing the excitation energy of the parent cluster. © 2000 American Institute of Physics.
publishDate 2000
dc.date.none.fl_str_mv 2000
2014
2014
2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/96225
url http://hdl.handle.net/10261/96225
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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