Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase
| Autor: | Johan Bert, Ernesto Marceca, Gilles Grégoire, Satchin Soorkia, Christophe Jouvet, Claude Dedonder, Ivan Alata, Michel Broquier, Géraldine Féraud |
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| Přispěvatelé: | Centre laser université Paris Sud (CLUPS), Université Paris-Sud - Paris 11 (UP11), Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11), Laboratoire de Physique des Lasers (LPL), Université Paris 13 (UP13)-Centre National de la Recherche Scientifique (CNRS), Instituto de Química Física de los Materiales, Medio Ambiente y Energía [Buenos Aires] (INQUIMAE), Facultad de Ciencias Exactas y Naturales [Buenos Aires] (FCEyN), Universidad de Buenos Aires [Buenos Aires] (UBA)-Universidad de Buenos Aires [Buenos Aires] (UBA)-Consejo Nacional de Investigaciones Científicas y Técnicas [Buenos Aires] (CONICET), triangle de la physique' COMOVA, Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Consejo Nacional de Investigaciones Científicas y Técnicas [Buenos Aires] (CONICET)-Facultad de Ciencias Exactas y Naturales [Buenos Aires] (FCEyN), Universidad de Buenos Aires [Buenos Aires] (UBA)-Universidad de Buenos Aires [Buenos Aires] (UBA), Centre Laser de l'Université Paris Sud (CLUPS) |
| Rok vydání: | 2013 |
| Předmět: |
Indoles
photo-fragmentation spectroscopy Físico-Química Ciencia de los Polímeros Electroquímica Ab initio Protonation 02 engineering and technology 010402 general chemistry Ring (chemistry) Photochemistry 7. Clean energy 01 natural sciences Electron spectroscopy Ab initio quantum chemistry methods Atom Physics::Atomic and Molecular Clusters Physics::Chemical Physics Physical and Theoretical Chemistry protonation sites excited states cold ion trap Chemistry ab initio calculations [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus] Ciencias Químicas Chromophore 021001 nanoscience & nanotechnology 0104 chemical sciences PROTONATED INDOLE Excited state Quantum Theory GAS PHASE SPECTROSCOPY OF IONS Spectrophotometry Ultraviolet Gases Protons 0210 nano-technology CIENCIAS NATURALES Y EXACTAS |
| Zdroj: | Journal of Physical Chemistry A Journal of Physical Chemistry A, American Chemical Society, 2013, 117 (21), pp.4420-4427. ⟨10.1021/jp402298y⟩ Journal of Physical Chemistry A, 2013, 117 (21), pp.4420-4427. ⟨10.1021/jp402298y⟩ |
| ISSN: | 1520-5215 1089-5639 |
| DOI: | 10.1021/jp402298y |
| Popis: | 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 |
| Databáze: | OpenAIRE |
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