Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule
- Autores
- Hernández, Federico Javier; Capello, Marcela Carolina; Naito, Ayumi; Manita, Shun; Tsukada, Kohei; Miyazaki, Mitsuhiko; Fujii, Masaaki; Broquier, Michel; Gregoire, Gabriel Eduardo; Dedonder Lardeux, Claude; Jouvet, Christophe; Pino, Gustavo Ariel
- Año de publicación
- 2015
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The gas phase structure and excited state dynamics of o-aminophenol-H2O complex have been investigated using REMPI, IR-UV hole-burning spectroscopy, and pump–probe experiments with picoseconds laser pulses. The IR-UV spectroscopy indicates that the isomer responsible for the excitation spectrum corresponds to an orientation of the OH bond away from the NH2 group. The water molecule acts as H-bond acceptor of the OH group of the chromophore. The complexation of o-aminophenol with one water molecule induced an enhancement in the excited state lifetime on the band origin. The variation of the excited state lifetime of the complex with the excess energy from 1.4 ± 0.1 ns for the 0–0 band to 0.24 ± 0.3 ns for the band at 0–0 + 120 cm–1 is very similar to the variation observed in the phenol-NH3 system. This experimental result suggests that the excited state hydrogen transfer reaction is the dominant channel for the non radiative pathway. Indeed, excited state ab initio calculations demonstrate that H transfer leading to the formation of the H3O• radical within the complex is the main reactive pathway.
Fil: Hernández, Federico Javier. 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: 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: Naito, Ayumi. Tokyo Institute of Technology; Japón
Fil: Manita, Shun. Tokyo Institute of Technology; Japón
Fil: Tsukada, Kohei. Tokyo Institute of Technology; Japón
Fil: Miyazaki, Mitsuhiko. Tokyo Institute of Technology; Japón
Fil: Fujii, Masaaki. Tokyo Institute of Technology; Japón
Fil: Broquier, Michel. Université Paris Sud; Francia
Fil: Gregoire, Gabriel Eduardo. Université Paris Sud; Francia
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-State Dynamics
Hole Burning Spectroscopy
Hydrogen-Transfer Reactions
Pump-Probe Experiments - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/47489
Ver los metadatos del registro completo
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Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic moleculeHernández, Federico JavierCapello, Marcela CarolinaNaito, AyumiManita, ShunTsukada, KoheiMiyazaki, MitsuhikoFujii, MasaakiBroquier, MichelGregoire, Gabriel EduardoDedonder Lardeux, ClaudeJouvet, ChristophePino, Gustavo ArielExcited-State DynamicsHole Burning SpectroscopyHydrogen-Transfer ReactionsPump-Probe Experimentshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The gas phase structure and excited state dynamics of o-aminophenol-H2O complex have been investigated using REMPI, IR-UV hole-burning spectroscopy, and pump–probe experiments with picoseconds laser pulses. The IR-UV spectroscopy indicates that the isomer responsible for the excitation spectrum corresponds to an orientation of the OH bond away from the NH2 group. The water molecule acts as H-bond acceptor of the OH group of the chromophore. The complexation of o-aminophenol with one water molecule induced an enhancement in the excited state lifetime on the band origin. The variation of the excited state lifetime of the complex with the excess energy from 1.4 ± 0.1 ns for the 0–0 band to 0.24 ± 0.3 ns for the band at 0–0 + 120 cm–1 is very similar to the variation observed in the phenol-NH3 system. This experimental result suggests that the excited state hydrogen transfer reaction is the dominant channel for the non radiative pathway. Indeed, excited state ab initio calculations demonstrate that H transfer leading to the formation of the H3O• radical within the complex is the main reactive pathway.Fil: Hernández, Federico Javier. 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: 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: Naito, Ayumi. Tokyo Institute of Technology; JapónFil: Manita, Shun. Tokyo Institute of Technology; JapónFil: Tsukada, Kohei. Tokyo Institute of Technology; JapónFil: Miyazaki, Mitsuhiko. Tokyo Institute of Technology; JapónFil: Fujii, Masaaki. Tokyo Institute of Technology; JapónFil: Broquier, Michel. Université Paris Sud; FranciaFil: Gregoire, Gabriel Eduardo. Université Paris Sud; FranciaFil: 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 Society2015-12-04info: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/11336/47489Hernández, Federico Javier; Capello, Marcela Carolina; Naito, Ayumi; Manita, Shun; Tsukada, Kohei; et al.; Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule; American Chemical Society; Journal of Physical Chemistry A; 119; 51; 4-12-2015; 12730-127351089-56391520-5215CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.5b10142info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:25:15Zoai:ri.conicet.gov.ar:11336/47489instacron: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 11:25:15.406CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| title |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| spellingShingle |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule Hernández, Federico Javier Excited-State Dynamics Hole Burning Spectroscopy Hydrogen-Transfer Reactions Pump-Probe Experiments |
| title_short |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| title_full |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| title_fullStr |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| title_full_unstemmed |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| title_sort |
Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule |
| dc.creator.none.fl_str_mv |
Hernández, Federico Javier Capello, Marcela Carolina Naito, Ayumi Manita, Shun Tsukada, Kohei Miyazaki, Mitsuhiko Fujii, Masaaki Broquier, Michel Gregoire, Gabriel Eduardo Dedonder Lardeux, Claude Jouvet, Christophe Pino, Gustavo Ariel |
| author |
Hernández, Federico Javier |
| author_facet |
Hernández, Federico Javier Capello, Marcela Carolina Naito, Ayumi Manita, Shun Tsukada, Kohei Miyazaki, Mitsuhiko Fujii, Masaaki Broquier, Michel Gregoire, Gabriel Eduardo Dedonder Lardeux, Claude Jouvet, Christophe Pino, Gustavo Ariel |
| author_role |
author |
| author2 |
Capello, Marcela Carolina Naito, Ayumi Manita, Shun Tsukada, Kohei Miyazaki, Mitsuhiko Fujii, Masaaki Broquier, Michel Gregoire, Gabriel Eduardo Dedonder Lardeux, Claude Jouvet, Christophe Pino, Gustavo Ariel |
| author2_role |
author author author author author author author author author author author |
| dc.subject.none.fl_str_mv |
Excited-State Dynamics Hole Burning Spectroscopy Hydrogen-Transfer Reactions Pump-Probe Experiments |
| topic |
Excited-State Dynamics Hole Burning Spectroscopy Hydrogen-Transfer Reactions Pump-Probe Experiments |
| 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 and excited state dynamics of o-aminophenol-H2O complex have been investigated using REMPI, IR-UV hole-burning spectroscopy, and pump–probe experiments with picoseconds laser pulses. The IR-UV spectroscopy indicates that the isomer responsible for the excitation spectrum corresponds to an orientation of the OH bond away from the NH2 group. The water molecule acts as H-bond acceptor of the OH group of the chromophore. The complexation of o-aminophenol with one water molecule induced an enhancement in the excited state lifetime on the band origin. The variation of the excited state lifetime of the complex with the excess energy from 1.4 ± 0.1 ns for the 0–0 band to 0.24 ± 0.3 ns for the band at 0–0 + 120 cm–1 is very similar to the variation observed in the phenol-NH3 system. This experimental result suggests that the excited state hydrogen transfer reaction is the dominant channel for the non radiative pathway. Indeed, excited state ab initio calculations demonstrate that H transfer leading to the formation of the H3O• radical within the complex is the main reactive pathway. Fil: Hernández, Federico Javier. 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: 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: Naito, Ayumi. Tokyo Institute of Technology; Japón Fil: Manita, Shun. Tokyo Institute of Technology; Japón Fil: Tsukada, Kohei. Tokyo Institute of Technology; Japón Fil: Miyazaki, Mitsuhiko. Tokyo Institute of Technology; Japón Fil: Fujii, Masaaki. Tokyo Institute of Technology; Japón Fil: Broquier, Michel. Université Paris Sud; Francia Fil: Gregoire, Gabriel Eduardo. Université Paris Sud; Francia 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 and excited state dynamics of o-aminophenol-H2O complex have been investigated using REMPI, IR-UV hole-burning spectroscopy, and pump–probe experiments with picoseconds laser pulses. The IR-UV spectroscopy indicates that the isomer responsible for the excitation spectrum corresponds to an orientation of the OH bond away from the NH2 group. The water molecule acts as H-bond acceptor of the OH group of the chromophore. The complexation of o-aminophenol with one water molecule induced an enhancement in the excited state lifetime on the band origin. The variation of the excited state lifetime of the complex with the excess energy from 1.4 ± 0.1 ns for the 0–0 band to 0.24 ± 0.3 ns for the band at 0–0 + 120 cm–1 is very similar to the variation observed in the phenol-NH3 system. This experimental result suggests that the excited state hydrogen transfer reaction is the dominant channel for the non radiative pathway. Indeed, excited state ab initio calculations demonstrate that H transfer leading to the formation of the H3O• radical within the complex is the main reactive pathway. |
| publishDate |
2015 |
| dc.date.none.fl_str_mv |
2015-12-04 |
| 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/11336/47489 Hernández, Federico Javier; Capello, Marcela Carolina; Naito, Ayumi; Manita, Shun; Tsukada, Kohei; et al.; Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule; American Chemical Society; Journal of Physical Chemistry A; 119; 51; 4-12-2015; 12730-12735 1089-5639 1520-5215 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/47489 |
| identifier_str_mv |
Hernández, Federico Javier; Capello, Marcela Carolina; Naito, Ayumi; Manita, Shun; Tsukada, Kohei; et al.; Trapped hydronium radical produced by ultraviolet excitation of substituted aromatic molecule; American Chemical Society; Journal of Physical Chemistry A; 119; 51; 4-12-2015; 12730-12735 1089-5639 1520-5215 CONICET Digital CONICET |
| dc.language.none.fl_str_mv |
eng |
| language |
eng |
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info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.5b10142 |
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info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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openAccess |
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application/pdf application/pdf application/pdf |
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American Chemical Society |
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American Chemical Society |
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reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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