Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase

Autores
Aiata, Ivan; Bert, Johan; Broquier, Michel; Dedonder, Claude; Feraud, Géraldine; Grégoire, Gilles; Soorkia, Satchin; Marceca, Ernesto José; Jouvet, Christophe
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The electronic spectroscopy of protonated indole was investigated experimentally and theoretically. Two isomers have been observed in this experiment. The first isomer corresponds to the lowest energy isomer in the calculations, absorbing at ~350 nm and protonated on the C3 atom of the pyrrole ring. According to our calculations, the absorption of the other isomers protonated on carbon atoms is in the visible region. Indeed the second isomer observed absorbs in the blue (starting at 488 nm) and has been assigned to protonation on the C2 carbon of the pyrrole ring. Since good agreement was obtained between calculated and experimental transitions for the isomers observed, reasonable ab-initio transition energies may also be expected for the higher energy isomers protonated on carbon atoms, which should also absorb in the visible. Protonation on the nitrogen atom leads to a blue shifted transition.
Fil: Aiata, Ivan. Centre Laser de L’université Paris Sud; Francia
Fil: Bert, Johan. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Fil: Broquier, Michel. Centre Laser de L’université Paris Sud; Francia
Fil: Dedonder, Claude. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Fil: Feraud, Géraldine. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Fil: Grégoire, Gilles. Université Paris 13, Sorbonne Paris Cité; Francia
Fil: Soorkia, Satchin. Université Paris-Sud. Institut Des Sciences Moléculaires D’orsay; 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; Argentina. Universidad de Buenos Aires; Argentina
Fil: Jouvet, Christophe . Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Materia
Protonated Indole
Gas Phase Spectroscopy of Ions
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:11336/7819
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Electronic Spectra of the Protonated Indole Chromophore in the Gas PhaseAiata, IvanBert, JohanBroquier, MichelDedonder, ClaudeFeraud, GéraldineGrégoire, GillesSoorkia, SatchinMarceca, Ernesto JoséJouvet, Christophe Protonated IndoleGas Phase Spectroscopy of Ionshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The electronic spectroscopy of protonated indole was investigated experimentally and theoretically. Two isomers have been observed in this experiment. The first isomer corresponds to the lowest energy isomer in the calculations, absorbing at ~350 nm and protonated on the C3 atom of the pyrrole ring. According to our calculations, the absorption of the other isomers protonated on carbon atoms is in the visible region. Indeed the second isomer observed absorbs in the blue (starting at 488 nm) and has been assigned to protonation on the C2 carbon of the pyrrole ring. Since good agreement was obtained between calculated and experimental transitions for the isomers observed, reasonable ab-initio transition energies may also be expected for the higher energy isomers protonated on carbon atoms, which should also absorb in the visible. Protonation on the nitrogen atom leads to a blue shifted transition.Fil: Aiata, Ivan. Centre Laser de L’université Paris Sud; FranciaFil: Bert, Johan. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Broquier, Michel. Centre Laser de L’université Paris Sud; FranciaFil: Dedonder, Claude. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Feraud, Géraldine. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaFil: Grégoire, Gilles. Université Paris 13, Sorbonne Paris Cité; FranciaFil: Soorkia, Satchin. Université Paris-Sud. Institut Des Sciences Moléculaires D’orsay; 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; Argentina. Universidad de Buenos Aires; ArgentinaFil: Jouvet, Christophe . Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; FranciaAmerican Chemical Society2013-04-23info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/7819Aiata, Ivan; Bert, Johan; Broquier, Michel; Dedonder, Claude; Feraud, Géraldine; et al.; Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase; American Chemical Society; Journal Of Physical Chemistry A; 117; 23-4-2013; 4420-44271089-5639enginfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp402298yinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp402298yinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:04:50Zoai:ri.conicet.gov.ar:11336/7819instacron: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 11:04:50.878CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
title Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
spellingShingle Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
Aiata, Ivan
Protonated Indole
Gas Phase Spectroscopy of Ions
title_short Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
title_full Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
title_fullStr Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
title_full_unstemmed Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
title_sort Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
dc.creator.none.fl_str_mv Aiata, Ivan
Bert, Johan
Broquier, Michel
Dedonder, Claude
Feraud, Géraldine
Grégoire, Gilles
Soorkia, Satchin
Marceca, Ernesto José
Jouvet, Christophe
author Aiata, Ivan
author_facet Aiata, Ivan
Bert, Johan
Broquier, Michel
Dedonder, Claude
Feraud, Géraldine
Grégoire, Gilles
Soorkia, Satchin
Marceca, Ernesto José
Jouvet, Christophe
author_role author
author2 Bert, Johan
Broquier, Michel
Dedonder, Claude
Feraud, Géraldine
Grégoire, Gilles
Soorkia, Satchin
Marceca, Ernesto José
Jouvet, Christophe
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Protonated Indole
Gas Phase Spectroscopy of Ions
topic Protonated Indole
Gas Phase Spectroscopy of Ions
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 electronic spectroscopy of protonated indole was investigated experimentally and theoretically. Two isomers have been observed in this experiment. The first isomer corresponds to the lowest energy isomer in the calculations, absorbing at ~350 nm and protonated on the C3 atom of the pyrrole ring. According to our calculations, the absorption of the other isomers protonated on carbon atoms is in the visible region. Indeed the second isomer observed absorbs in the blue (starting at 488 nm) and has been assigned to protonation on the C2 carbon of the pyrrole ring. Since good agreement was obtained between calculated and experimental transitions for the isomers observed, reasonable ab-initio transition energies may also be expected for the higher energy isomers protonated on carbon atoms, which should also absorb in the visible. Protonation on the nitrogen atom leads to a blue shifted transition.
Fil: Aiata, Ivan. Centre Laser de L’université Paris Sud; Francia
Fil: Bert, Johan. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Fil: Broquier, Michel. Centre Laser de L’université Paris Sud; Francia
Fil: Dedonder, Claude. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Fil: Feraud, Géraldine. Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
Fil: Grégoire, Gilles. Université Paris 13, Sorbonne Paris Cité; Francia
Fil: Soorkia, Satchin. Université Paris-Sud. Institut Des Sciences Moléculaires D’orsay; 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; Argentina. Universidad de Buenos Aires; Argentina
Fil: Jouvet, Christophe . Aix-Marseille Université. Physique des Interactions Ioniques et Moléculaires; Francia
description The electronic spectroscopy of protonated indole was investigated experimentally and theoretically. Two isomers have been observed in this experiment. The first isomer corresponds to the lowest energy isomer in the calculations, absorbing at ~350 nm and protonated on the C3 atom of the pyrrole ring. According to our calculations, the absorption of the other isomers protonated on carbon atoms is in the visible region. Indeed the second isomer observed absorbs in the blue (starting at 488 nm) and has been assigned to protonation on the C2 carbon of the pyrrole ring. Since good agreement was obtained between calculated and experimental transitions for the isomers observed, reasonable ab-initio transition energies may also be expected for the higher energy isomers protonated on carbon atoms, which should also absorb in the visible. Protonation on the nitrogen atom leads to a blue shifted transition.
publishDate 2013
dc.date.none.fl_str_mv 2013-04-23
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/11336/7819
Aiata, Ivan; Bert, Johan; Broquier, Michel; Dedonder, Claude; Feraud, Géraldine; et al.; Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase; American Chemical Society; Journal Of Physical Chemistry A; 117; 23-4-2013; 4420-4427
1089-5639
url http://hdl.handle.net/11336/7819
identifier_str_mv Aiata, Ivan; Bert, Johan; Broquier, Michel; Dedonder, Claude; Feraud, Géraldine; et al.; Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase; American Chemical Society; Journal Of Physical Chemistry A; 117; 23-4-2013; 4420-4427
1089-5639
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/jp402298y
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp402298y
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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