Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl

UV photolysis of Ar-HCl is simulated by means of an exact wave packet treatment in three dimensions. The focus of the work is on the mechanism of indirect dissociation of the hydrogen atom, which leads to total fragmentation of Ar-HCl into H, Ar, and Cl. The results predict for this photodissociatio...

Descripción completa

Detalles Bibliográficos
Autores: Juanes-Marcos, J.C., García Vela, Alberto
Tipo de recurso: artículo
Fecha de publicación:1999
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/100446
Acceso en línea:http://hdl.handle.net/10261/100446
Access Level:acceso abierto
Palabra clave:Photodissociation
Absorption spectra
Cluster dynamics
Collision theories
Dissociation
id ES_4c42dddb65e5ba3effe272b4d0bb1db2
oai_identifier_str oai:digital.csic.es:10261/100446
network_acronym_str ES
network_name_str España
repository_id_str
spelling Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+ClJuanes-Marcos, J.C.García Vela, AlbertoPhotodissociationAbsorption spectraCluster dynamicsCollision theoriesDissociationUV photolysis of Ar-HCl is simulated by means of an exact wave packet treatment in three dimensions. The focus of the work is on the mechanism of indirect dissociation of the hydrogen atom, which leads to total fragmentation of Ar-HCl into H, Ar, and Cl. The results predict for this photodissociation path a probability of about 13% of the photolysis process. The remaining probability would be associated with direct photodissociation of the H fragment. Kinetic-energy distributions of the hydrogen fragments produced by indirect photodissociation are calculated for different excitation energies of Ar-HCl. The distributions reflect a pronounced structure of peaks associated with broad and overlapping resonances of the system. The resonance structure is present in the whole energy range covered by the absorption spectrum. Hydrogen atoms initially populating the resonances can dissociate from the cluster extensively cooled down, after several collisions with Ar and Cl, A mechanism is suggested for the fragmentation process due to indirect photodissociation, which involves successive jumps of the hydrogen to lower-energy resonances, induced by the collisions, A classical collisional model is proposed to rationalize qualitatively the fragmentation dynamics. © 1999 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 Physics2014201419992014info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501http://hdl.handle.net/10261/100446reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglésinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1004462026-05-22T06:33:51Z
dc.title.none.fl_str_mv Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
title Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
spellingShingle Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
Juanes-Marcos, J.C.
Photodissociation
Absorption spectra
Cluster dynamics
Collision theories
Dissociation
title_short Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
title_full Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
title_fullStr Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
title_full_unstemmed Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
title_sort Photodissociation of Ar-HCl: An energy-resolved study of the dynamics of total fragmentation into H+Ar+Cl
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 Photodissociation
Absorption spectra
Cluster dynamics
Collision theories
Dissociation
topic Photodissociation
Absorption spectra
Cluster dynamics
Collision theories
Dissociation
description UV photolysis of Ar-HCl is simulated by means of an exact wave packet treatment in three dimensions. The focus of the work is on the mechanism of indirect dissociation of the hydrogen atom, which leads to total fragmentation of Ar-HCl into H, Ar, and Cl. The results predict for this photodissociation path a probability of about 13% of the photolysis process. The remaining probability would be associated with direct photodissociation of the H fragment. Kinetic-energy distributions of the hydrogen fragments produced by indirect photodissociation are calculated for different excitation energies of Ar-HCl. The distributions reflect a pronounced structure of peaks associated with broad and overlapping resonances of the system. The resonance structure is present in the whole energy range covered by the absorption spectrum. Hydrogen atoms initially populating the resonances can dissociate from the cluster extensively cooled down, after several collisions with Ar and Cl, A mechanism is suggested for the fragmentation process due to indirect photodissociation, which involves successive jumps of the hydrogen to lower-energy resonances, induced by the collisions, A classical collisional model is proposed to rationalize qualitatively the fragmentation dynamics. © 1999 American Institute of Physics.
publishDate 1999
dc.date.none.fl_str_mv 1999
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/10261/100446
url http://hdl.handle.net/10261/100446
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
_version_ 1869407616068747264
score 15.81155

Similares en LA Referencia