Fast Nonradiative Decay ino‑Aminophenol

Autores
Capello, Marcela Carolina; Broquier, Michel; Ischiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; Dedonder Lardeux, Claude; Jouvet, Christophe; Pino, Gustavo Ariel
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The gas phase structure of 2-aminophenol has been investigated using UV–UV as well as IR–UV hole burning spectroscopy. The presence of a free OH vibration in the IR spectrum rules out the contribution of the cis isomer, which is expected to have an intramolecular H-bond, to the spectra. The excited state lifetimes of different vibronic levels have been measured with pump–probe picosecond experiments and are all very short (35 ± 5) ps as compared to other substituted phenols. The electronic states and active vibrational modes of the cis and trans isomers have been calculated with ab initio methods for comparison with the experimental spectra. The Franck–Condon simulation of the spectrum using the calculated ground and excited state frequencies of the trans isomer is in good agreement with the experimental one. The very short excited state lifetime of 2-aminophenol can then be explained by the strong coupling between the two first singlet excited states due to the absence of symmetry, the geometry of the trans isomer being strongly nonplanar in the excited state.
Fil: Capello, Marcela Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Broquier, Michel. Universite Paris Sud; Francia
Fil: Ischiuchi, Shun-Ichi. Tokyo Institute of Technology. Yokohama; Japón
Fil: Sohn, Woon Y.. Tokyo Institute of Technology. Yokohama; Japón
Fil: Fujii, Masaaki. Tokyo Institute of Technology. Yokohama; Japón
Fil: Dedonder Lardeux, Claude. Aix-Marseille Universite; Francia
Fil: Jouvet, Christophe. Aix-Marseille Universite; Francia
Fil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
Excited States
Out-Of-Plane
Lifetime
Ortho Substituted Phenols
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:11336/31400
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/31400
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Fast Nonradiative Decay ino‑AminophenolCapello, Marcela CarolinaBroquier, MichelIschiuchi, Shun-IchiSohn, Woon Y.Fujii, MasaakiDedonder Lardeux, ClaudeJouvet, ChristophePino, Gustavo ArielExcited StatesOut-Of-PlaneLifetimeOrtho Substituted Phenolshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The gas phase structure of 2-aminophenol has been investigated using UV–UV as well as IR–UV hole burning spectroscopy. The presence of a free OH vibration in the IR spectrum rules out the contribution of the cis isomer, which is expected to have an intramolecular H-bond, to the spectra. The excited state lifetimes of different vibronic levels have been measured with pump–probe picosecond experiments and are all very short (35 ± 5) ps as compared to other substituted phenols. The electronic states and active vibrational modes of the cis and trans isomers have been calculated with ab initio methods for comparison with the experimental spectra. The Franck–Condon simulation of the spectrum using the calculated ground and excited state frequencies of the trans isomer is in good agreement with the experimental one. The very short excited state lifetime of 2-aminophenol can then be explained by the strong coupling between the two first singlet excited states due to the absence of symmetry, the geometry of the trans isomer being strongly nonplanar in the excited state.Fil: Capello, Marcela Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Broquier, Michel. Universite Paris Sud; FranciaFil: Ischiuchi, Shun-Ichi. Tokyo Institute of Technology. Yokohama; JapónFil: Sohn, Woon Y.. Tokyo Institute of Technology. Yokohama; JapónFil: Fujii, Masaaki. Tokyo Institute of Technology. Yokohama; JapónFil: Dedonder Lardeux, Claude. Aix-Marseille Universite; FranciaFil: Jouvet, Christophe. Aix-Marseille Universite; FranciaFil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaAmerican Chemical Society2014-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31400Capello, Marcela Carolina; Broquier, Michel; Ischiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; et al.; Fast Nonradiative Decay ino‑Aminophenol; American Chemical Society; Journal of Physical Chemistry A; 118; 11; 2-2014; 2056-20621089-5639CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi//10.1021/jp411457vinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp411457vinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:21:21Zoai:ri.conicet.gov.ar:11336/31400instacron: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:34982025-09-29 10:21:22.239CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Fast Nonradiative Decay ino‑Aminophenol
title Fast Nonradiative Decay ino‑Aminophenol
spellingShingle Fast Nonradiative Decay ino‑Aminophenol
Capello, Marcela Carolina
Excited States
Out-Of-Plane
Lifetime
Ortho Substituted Phenols
title_short Fast Nonradiative Decay ino‑Aminophenol
title_full Fast Nonradiative Decay ino‑Aminophenol
title_fullStr Fast Nonradiative Decay ino‑Aminophenol
title_full_unstemmed Fast Nonradiative Decay ino‑Aminophenol
title_sort Fast Nonradiative Decay ino‑Aminophenol
dc.creator.none.fl_str_mv Capello, Marcela Carolina
Broquier, Michel
Ischiuchi, Shun-Ichi
Sohn, Woon Y.
Fujii, Masaaki
Dedonder Lardeux, Claude
Jouvet, Christophe
Pino, Gustavo Ariel
author Capello, Marcela Carolina
author_facet Capello, Marcela Carolina
Broquier, Michel
Ischiuchi, Shun-Ichi
Sohn, Woon Y.
Fujii, Masaaki
Dedonder Lardeux, Claude
Jouvet, Christophe
Pino, Gustavo Ariel
author_role author
author2 Broquier, Michel
Ischiuchi, Shun-Ichi
Sohn, Woon Y.
Fujii, Masaaki
Dedonder Lardeux, Claude
Jouvet, Christophe
Pino, Gustavo Ariel
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Excited States
Out-Of-Plane
Lifetime
Ortho Substituted Phenols
topic Excited States
Out-Of-Plane
Lifetime
Ortho Substituted Phenols
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 gas phase structure of 2-aminophenol has been investigated using UV–UV as well as IR–UV hole burning spectroscopy. The presence of a free OH vibration in the IR spectrum rules out the contribution of the cis isomer, which is expected to have an intramolecular H-bond, to the spectra. The excited state lifetimes of different vibronic levels have been measured with pump–probe picosecond experiments and are all very short (35 ± 5) ps as compared to other substituted phenols. The electronic states and active vibrational modes of the cis and trans isomers have been calculated with ab initio methods for comparison with the experimental spectra. The Franck–Condon simulation of the spectrum using the calculated ground and excited state frequencies of the trans isomer is in good agreement with the experimental one. The very short excited state lifetime of 2-aminophenol can then be explained by the strong coupling between the two first singlet excited states due to the absence of symmetry, the geometry of the trans isomer being strongly nonplanar in the excited state.
Fil: Capello, Marcela Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Broquier, Michel. Universite Paris Sud; Francia
Fil: Ischiuchi, Shun-Ichi. Tokyo Institute of Technology. Yokohama; Japón
Fil: Sohn, Woon Y.. Tokyo Institute of Technology. Yokohama; Japón
Fil: Fujii, Masaaki. Tokyo Institute of Technology. Yokohama; Japón
Fil: Dedonder Lardeux, Claude. Aix-Marseille Universite; Francia
Fil: Jouvet, Christophe. Aix-Marseille Universite; Francia
Fil: Pino, Gustavo Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description The gas phase structure of 2-aminophenol has been investigated using UV–UV as well as IR–UV hole burning spectroscopy. The presence of a free OH vibration in the IR spectrum rules out the contribution of the cis isomer, which is expected to have an intramolecular H-bond, to the spectra. The excited state lifetimes of different vibronic levels have been measured with pump–probe picosecond experiments and are all very short (35 ± 5) ps as compared to other substituted phenols. The electronic states and active vibrational modes of the cis and trans isomers have been calculated with ab initio methods for comparison with the experimental spectra. The Franck–Condon simulation of the spectrum using the calculated ground and excited state frequencies of the trans isomer is in good agreement with the experimental one. The very short excited state lifetime of 2-aminophenol can then be explained by the strong coupling between the two first singlet excited states due to the absence of symmetry, the geometry of the trans isomer being strongly nonplanar in the excited state.
publishDate 2014
dc.date.none.fl_str_mv 2014-02
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/11336/31400
Capello, Marcela Carolina; Broquier, Michel; Ischiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; et al.; Fast Nonradiative Decay ino‑Aminophenol; American Chemical Society; Journal of Physical Chemistry A; 118; 11; 2-2014; 2056-2062
1089-5639
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31400
identifier_str_mv Capello, Marcela Carolina; Broquier, Michel; Ischiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; et al.; Fast Nonradiative Decay ino‑Aminophenol; American Chemical Society; Journal of Physical Chemistry A; 118; 11; 2-2014; 2056-2062
1089-5639
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/jp411457v
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp411457v
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 13.070432

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