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Fast nonradiative decay in o-aminophenol.
Capello, Marcela C; Broquier, Michel; Ishiuchi, Shun-Ichi; Sohn, Woon Y; Fujii, Masaaki; Dedonder-Lardeux, Claude; Jouvet, Christophe; Pino, Gustavo A.
Afiliação
  • Capello MC; Instituto de Investigaciones en Físico Química de Córdoba (INFIQC) CONICET, UNC. Dpto. de Fisicoquímica, Facultad de Ciencias Químicas, Centro Láser de Ciencias Moleculares, Universidad Nacional de Córdoba, Ciudad Universitaria , X5000HUA Córdoba, Argentina.
J Phys Chem A ; 118(11): 2056-62, 2014 Mar 20.
Article em En | MEDLINE | ID: mdl-24571346
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.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Argentina País de publicação: Estados Unidos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2014 Tipo de documento: Article País de afiliação: Argentina País de publicação: Estados Unidos