Fast non-radiative decay in o-aminophenol
- Autores
- Capello, Marcela Carolina; Broquier , Michel; Ishiuchi, 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 cisisomer, 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 cisand transisomers have been calculated with ab initiomethods for comparison with the experimental spectra. The Franck Condon simulation of the spectrum using the calculated ground and excited state frequenciesof the transisomeris 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 thetwofirst singlet excited states due to the absence of symmetry, the geometry of the transisomer being strongly non planar 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: Ishiuchi, Shun-Ichi. Tokyo Institute of Technology; Japón
Fil: Sohn, Woon Y.. Tokyo Institute of Technology; Japón
Fil: Fujii, Masaaki. Tokyo Institute of Technology; Japón
Fil: Dedonder-Lardeux, Claude. Aix-Marseille Université; Francia
Fil: Jouvet, Christophe. Aix-Marseille Université; 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
Lifetime
Ortho Substituted Phenol
Conical Intersection
Out-Of-Planevibration - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/31348
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Fast non-radiative decay in o-aminophenolCapello, Marcela CarolinaBroquier , MichelIshiuchi, Shun-IchiSohn, Woon Y.Fujii, MasaakiDedonder-Lardeux, ClaudeJouvet, ChristophePino, Gustavo ArielExcited StatesLifetimeOrtho Substituted PhenolConical IntersectionOut-Of-Planevibrationhttps://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 cisisomer, 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 cisand transisomers have been calculated with ab initiomethods for comparison with the experimental spectra. The Franck Condon simulation of the spectrum using the calculated ground and excited state frequenciesof the transisomeris 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 thetwofirst singlet excited states due to the absence of symmetry, the geometry of the transisomer being strongly non planar 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: Ishiuchi, Shun-Ichi. Tokyo Institute of Technology; JapónFil: Sohn, Woon Y.. Tokyo Institute of Technology; JapónFil: Fujii, Masaaki. Tokyo Institute of Technology; JapónFil: Dedonder-Lardeux, Claude. Aix-Marseille Université; FranciaFil: Jouvet, Christophe. Aix-Marseille Université; 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 Society2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31348Capello, Marcela Carolina; Broquier , Michel; Ishiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; et al.; Fast non-radiative decay in o-aminophenol; American Chemical Society; Journal of Physical Chemistry A; 118; 1-2014; 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 Técnicas2025-09-29T09:36:50Zoai:ri.conicet.gov.ar:11336/31348instacron: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 09:36:50.563CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Fast non-radiative decay in o-aminophenol |
title |
Fast non-radiative decay in o-aminophenol |
spellingShingle |
Fast non-radiative decay in o-aminophenol Capello, Marcela Carolina Excited States Lifetime Ortho Substituted Phenol Conical Intersection Out-Of-Planevibration |
title_short |
Fast non-radiative decay in o-aminophenol |
title_full |
Fast non-radiative decay in o-aminophenol |
title_fullStr |
Fast non-radiative decay in o-aminophenol |
title_full_unstemmed |
Fast non-radiative decay in o-aminophenol |
title_sort |
Fast non-radiative decay in o-aminophenol |
dc.creator.none.fl_str_mv |
Capello, Marcela Carolina Broquier , Michel Ishiuchi, 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 Ishiuchi, Shun-Ichi Sohn, Woon Y. Fujii, Masaaki Dedonder-Lardeux, Claude Jouvet, Christophe Pino, Gustavo Ariel |
author_role |
author |
author2 |
Broquier , Michel Ishiuchi, 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 Lifetime Ortho Substituted Phenol Conical Intersection Out-Of-Planevibration |
topic |
Excited States Lifetime Ortho Substituted Phenol Conical Intersection Out-Of-Planevibration |
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 cisisomer, 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 cisand transisomers have been calculated with ab initiomethods for comparison with the experimental spectra. The Franck Condon simulation of the spectrum using the calculated ground and excited state frequenciesof the transisomeris 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 thetwofirst singlet excited states due to the absence of symmetry, the geometry of the transisomer being strongly non planar 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: Ishiuchi, Shun-Ichi. Tokyo Institute of Technology; Japón Fil: Sohn, Woon Y.. Tokyo Institute of Technology; Japón Fil: Fujii, Masaaki. Tokyo Institute of Technology; Japón Fil: Dedonder-Lardeux, Claude. Aix-Marseille Université; Francia Fil: Jouvet, Christophe. Aix-Marseille Université; 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 cisisomer, 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 cisand transisomers have been calculated with ab initiomethods for comparison with the experimental spectra. The Franck Condon simulation of the spectrum using the calculated ground and excited state frequenciesof the transisomeris 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 thetwofirst singlet excited states due to the absence of symmetry, the geometry of the transisomer being strongly non planar in the excited state. |
publishDate |
2014 |
dc.date.none.fl_str_mv |
2014-01 |
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/11336/31348 Capello, Marcela Carolina; Broquier , Michel; Ishiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; et al.; Fast non-radiative decay in o-aminophenol; American Chemical Society; Journal of Physical Chemistry A; 118; 1-2014; 2056-2062 1089-5639 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/31348 |
identifier_str_mv |
Capello, Marcela Carolina; Broquier , Michel; Ishiuchi, Shun-Ichi; Sohn, Woon Y.; Fujii, Masaaki; et al.; Fast non-radiative decay in o-aminophenol; American Chemical Society; Journal of Physical Chemistry A; 118; 1-2014; 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 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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1844613157398511616 |
score |
13.070432 |