Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules

Autores
Alata, Ivan; Dedonder, Claude; Broquier, Michel; Marceca, Ernesto José; Jouvet, Christophe
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society.
Fil: Alata, Ivan. Université Paris Sud; Francia. Atomic Energy Commission of Syria; Siria
Fil: Dedonder, Claude. Université Paris Sud; Francia
Fil: Broquier, Michel. Université Paris Sud; Francia
Fil: Marceca, Ernesto José. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Jouvet, Christophe. Université Paris Sud; Francia
Materia
Electronic Spectra In the Gas Phase
Protonated Polyaromatic Hydrocarbons
Charge Transfer
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/71963
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon moleculesAlata, IvanDedonder, ClaudeBroquier, MichelMarceca, Ernesto JoséJouvet, ChristopheElectronic Spectra In the Gas PhaseProtonated Polyaromatic HydrocarbonsCharge Transferhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society.Fil: Alata, Ivan. Université Paris Sud; Francia. Atomic Energy Commission of Syria; SiriaFil: Dedonder, Claude. Université Paris Sud; FranciaFil: Broquier, Michel. Université Paris Sud; FranciaFil: Marceca, Ernesto José. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Jouvet, Christophe. Université Paris Sud; FranciaAmerican Chemical Society2010-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/71963Alata, Ivan; Dedonder, Claude; Broquier, Michel; Marceca, Ernesto José; Jouvet, Christophe; Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules; American Chemical Society; Journal of the American Chemical Society; 132; 49; 12-2010; 17483-174890002-7863CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/ja106424finfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/ja106424finfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:11:44Zoai:ri.conicet.gov.ar:11336/71963instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:11:45.202CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
spellingShingle Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
Alata, Ivan
Electronic Spectra In the Gas Phase
Protonated Polyaromatic Hydrocarbons
Charge Transfer
title_short Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_full Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_fullStr Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_full_unstemmed Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
title_sort Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
dc.creator.none.fl_str_mv Alata, Ivan
Dedonder, Claude
Broquier, Michel
Marceca, Ernesto José
Jouvet, Christophe
author Alata, Ivan
author_facet Alata, Ivan
Dedonder, Claude
Broquier, Michel
Marceca, Ernesto José
Jouvet, Christophe
author_role author
author2 Dedonder, Claude
Broquier, Michel
Marceca, Ernesto José
Jouvet, Christophe
author2_role author
author
author
author
dc.subject.none.fl_str_mv Electronic Spectra In the Gas Phase
Protonated Polyaromatic Hydrocarbons
Charge Transfer
topic Electronic Spectra In the Gas Phase
Protonated Polyaromatic Hydrocarbons
Charge Transfer
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society.
Fil: Alata, Ivan. Université Paris Sud; Francia. Atomic Energy Commission of Syria; Siria
Fil: Dedonder, Claude. Université Paris Sud; Francia
Fil: Broquier, Michel. Université Paris Sud; Francia
Fil: Marceca, Ernesto José. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Jouvet, Christophe. Université Paris Sud; Francia
description The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society.
publishDate 2010
dc.date.none.fl_str_mv 2010-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/71963
Alata, Ivan; Dedonder, Claude; Broquier, Michel; Marceca, Ernesto José; Jouvet, Christophe; Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules; American Chemical Society; Journal of the American Chemical Society; 132; 49; 12-2010; 17483-17489
0002-7863
CONICET Digital
CONICET
url http://hdl.handle.net/11336/71963
identifier_str_mv Alata, Ivan; Dedonder, Claude; Broquier, Michel; Marceca, Ernesto José; Jouvet, Christophe; Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules; American Chemical Society; Journal of the American Chemical Society; 132; 49; 12-2010; 17483-17489
0002-7863
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/ja106424f
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/abs/10.1021/ja106424f
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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