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Alata, I.; Bert, J.; Broquier, M.; Dedonder, C.; Feraud, G.; Grégoire, G.; Soorkia, S.; Marceca, E.; Jouvet, C. "Electronic spectra of the protonated indole chromophore in the gas phase" (2013) Journal of Physical Chemistry A. 117(21):4420-4427
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Abstract:

The electronic spectroscopy of cold protonated indole was investigated experimentally and theoretically. Two isomers were observed by 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 absorptions of the other isomers protonated on carbon atoms (C2, C4, C5, C 6, and C7) are in the visible region. Indeed, the absorption of the second observed isomer starts at 488 nm and was assigned to protonation on the C2 carbon of the pyrrole ring. Because good agreement was obtained between the calculated and experimental transitions for the observed isomers, reasonable ab initio transition energies can also be expected for the higher-energy isomers protonated on other carbon atoms, which should also absorb in the visible region. Protonation on the nitrogen atom leads to a transition that is blue-shifted with respect to that of the most stable isomer. © 2013 American Chemical Society.

Registro:

Documento: Artículo
Título:Electronic spectra of the protonated indole chromophore in the gas phase
Autor:Alata, I.; Bert, J.; Broquier, M.; Dedonder, C.; Feraud, G.; Grégoire, G.; Soorkia, S.; Marceca, E.; Jouvet, C.
Filiación:CLUPS (Centre Laser de l'Université Paris-Sud/LUMAT FR 2764), Université Paris-Sud, 91405 Orsay Cedex, France
Institut des Sciences Moléculaires d'Orsay (ISMO, UMR 8214 CNRS), Université Paris-Sud, 91405 Orsay Cedex, France
Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syrian Arab Republic
PIIM, Aix-Marseille Université, UMR-CNRS 7345, Avenue Escadrille Normandie-Niémen, 13397 Marseille cedex 20, France
Laboratoire de Physique des Lasers, Université Paris 13, CNRS, 93430 Villetaneuse, France
INQUIMAE-FCEN, UBA, Ciudad Universitaria, 3er piso, 1428 Buenos Aires, Argentina
Palabras clave:A transitions; Electronic spectroscopy; Electronic spectrum; Lowest-energy isomers; Nitrogen atom; Stable isomers; Transition energy; Visible region; Aromatic compounds; Atoms; Calculations; Carbon; Chromophores; Polycyclic aromatic hydrocarbons; Protonation; Isomers; indole derivative; proton; article; chemistry; gas; quantum theory; ultraviolet spectrophotometry; Gases; Indoles; Protons; Quantum Theory; Spectrophotometry, Ultraviolet
Año:2013
Volumen:117
Número:21
Página de inicio:4420
Página de fin:4427
DOI: http://dx.doi.org/10.1021/jp402298y
Título revista:Journal of Physical Chemistry A
Título revista abreviado:J Phys Chem A
ISSN:10895639
CODEN:JPCAF
CAS:proton, 12408-02-5, 12586-59-3; Gases; Indoles; Protons
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v117_n21_p4420_Alata

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Citas:

---------- APA ----------
Alata, I., Bert, J., Broquier, M., Dedonder, C., Feraud, G., Grégoire, G., Soorkia, S.,..., Jouvet, C. (2013) . Electronic spectra of the protonated indole chromophore in the gas phase. Journal of Physical Chemistry A, 117(21), 4420-4427.
http://dx.doi.org/10.1021/jp402298y
---------- CHICAGO ----------
Alata, I., Bert, J., Broquier, M., Dedonder, C., Feraud, G., Grégoire, G., et al. "Electronic spectra of the protonated indole chromophore in the gas phase" . Journal of Physical Chemistry A 117, no. 21 (2013) : 4420-4427.
http://dx.doi.org/10.1021/jp402298y
---------- MLA ----------
Alata, I., Bert, J., Broquier, M., Dedonder, C., Feraud, G., Grégoire, G., et al. "Electronic spectra of the protonated indole chromophore in the gas phase" . Journal of Physical Chemistry A, vol. 117, no. 21, 2013, pp. 4420-4427.
http://dx.doi.org/10.1021/jp402298y
---------- VANCOUVER ----------
Alata, I., Bert, J., Broquier, M., Dedonder, C., Feraud, G., Grégoire, G., et al. Electronic spectra of the protonated indole chromophore in the gas phase. J Phys Chem A. 2013;117(21):4420-4427.
http://dx.doi.org/10.1021/jp402298y