Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation

The uv photolysis of the Ar–HCl cluster is studied applying an exact time-dependent wave packet method in three dimensions, assuming zero-total angular momentum. The photodissociation process is found to occur via two different fragmentation mechanisms, depending on the initial excitation energy of...

Descripción completa

Detalles Bibliográficos
Autor: García Vela, Alberto
Tipo de recurso: artículo
Fecha de publicación:1998
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/100765
Acceso en línea:http://hdl.handle.net/10261/100765
Access Level:acceso abierto
Palabra clave:Cluster dynamics
Photodissociation
Excitation energies
Dissociation
Angular momentum
id ES_88c627f67e2c2c35dec7a8f80b94aeb0
oai_identifier_str oai:digital.csic.es:10261/100765
network_acronym_str ES
network_name_str España
repository_id_str
spelling Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociationGarcía Vela, AlbertoCluster dynamicsPhotodissociationExcitation energiesDissociationAngular momentumThe uv photolysis of the Ar–HCl cluster is studied applying an exact time-dependent wave packet method in three dimensions, assuming zero-total angular momentum. The photodissociation process is found to occur via two different fragmentation mechanisms, depending on the initial excitation energy of the cluster. One mechanism leads to total dissociation of the complex, producing three fragments, Ar–HCl+hν→H+Ar+Cl. The fragmentation dynamics in this case is governed by resonance states at relatively low energies of the cluster, in which the H atom collides a number of times with Ar and Cl before dissociating. Manifestations of these collisions are found in the final kinetic energy distribution of the photofragments, which is redshifted in the case of the H fragment, and blueshifted in the Ar and Cl cases. The second type of mechanism consists of a fast and direct photodissociation of the hydrogen, leading to a partial fragmentation of Ar–HCl into hot H fragments and bound Ar–Cl radical molecules. This mechanism dominates at higher energies, which are those mostly populated by the wave packet initially prepared in the present calculations. The experimental implications of the results are discussed. . © 1998 American Institute of Physics.This work was supported by D.G.I.C.Y.T., Spain, Grant No. PB95-0071.Peer ReviewedAmerican Institute of Physics2014201419982014info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501http://hdl.handle.net/10261/100765reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglésinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1007652026-05-22T06:33:51Z
dc.title.none.fl_str_mv Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
title Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
spellingShingle Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
García Vela, Alberto
Cluster dynamics
Photodissociation
Excitation energies
Dissociation
Angular momentum
title_short Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
title_full Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
title_fullStr Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
title_full_unstemmed Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
title_sort Study of the total and partial fragmentation dynamics of Ar-HCl after UV photodissociation
dc.creator.none.fl_str_mv García Vela, Alberto
author García Vela, Alberto
author_facet García Vela, Alberto
author_role author
dc.subject.none.fl_str_mv Cluster dynamics
Photodissociation
Excitation energies
Dissociation
Angular momentum
topic Cluster dynamics
Photodissociation
Excitation energies
Dissociation
Angular momentum
description The uv photolysis of the Ar–HCl cluster is studied applying an exact time-dependent wave packet method in three dimensions, assuming zero-total angular momentum. The photodissociation process is found to occur via two different fragmentation mechanisms, depending on the initial excitation energy of the cluster. One mechanism leads to total dissociation of the complex, producing three fragments, Ar–HCl+hν→H+Ar+Cl. The fragmentation dynamics in this case is governed by resonance states at relatively low energies of the cluster, in which the H atom collides a number of times with Ar and Cl before dissociating. Manifestations of these collisions are found in the final kinetic energy distribution of the photofragments, which is redshifted in the case of the H fragment, and blueshifted in the Ar and Cl cases. The second type of mechanism consists of a fast and direct photodissociation of the hydrogen, leading to a partial fragmentation of Ar–HCl into hot H fragments and bound Ar–Cl radical molecules. This mechanism dominates at higher energies, which are those mostly populated by the wave packet initially prepared in the present calculations. The experimental implications of the results are discussed. . © 1998 American Institute of Physics.
publishDate 1998
dc.date.none.fl_str_mv 1998
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/10261/100765
url http://hdl.handle.net/10261/100765
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_ 1869412577436499968
score 15,228081

Similares en LA Referencia