Féraud, G.; Domenianni, L.; Marceca, E.; Dedonder-Lardeux, C.; Jouvet, C. "Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase" (2017) Journal of Physical Chemistry A. 121(13):2580-2587
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Photofragmentation electronic spectra of isolated single-isomeric N-protonated quinoline (quinolinium) and isoquinoline (isoquinolinium) ions have been measured at a temperature of ∼40 K using a mass-selective, 10 cm-1 spectral resolution, photodissociation spectrometer. Additionally, ab initio adiabatic transition energies calculated using the RI-ADC(2) method have been employed to assist in the assignment of the spectra. Three electronic transitions having ππ∗ character were clearly evidenced for both protonated ions within the UV and deep-UV spectral ranges. The corresponding spectra at room temperature were previously reported by Hansen et al., together with TD-DFT calculations and a careful analysis of the possible fragmentation mechanisms. This information will be complemented in the present study by appending better resolved spectra, characteristic of cold ions, in which well-defined vibrational progressions associated with the S1 ← S0 and S3 ← S0 transitions exhibit clear 0-0 bands at hν0-0 = 27868 and 42230 cm-1, for protonated quinoline, and at hν0-0 = 28043 and 41988 cm-1, for protonated isoquinoline. Active vibrations in the spectra were assigned with the help of calculated normal modes, looking very similar to those of the structurally related protonated naphthalene. Finally, we have observed that the bandwidths associated with the deep-UV S3 ← S0 transition denote a lifetime for the S3 excited state in the subpicosecond time scale, in contrast with that of S1. © 2017 American Chemical Society.


Documento: Artículo
Título:Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase
Autor:Féraud, G.; Domenianni, L.; Marceca, E.; Dedonder-Lardeux, C.; Jouvet, C.
Filiación:CNRS, Aix-Marseille Université, PIIM UMR 7365, Avenue Escadrille Normandie-Niémen, Marseille Cedex 20, 13397, France
Facultad de Ciencias Exactas y Naturales, DQIAF, Universidad de Buenos Aires, Ciudad Universitaria, 1er piso, Pab. II, Buenos Aires, C1428EGA, Argentina
Instituto de Química Física de Los Materiales, Medio Ambiente y Energía, CONICET-UBA, Ciudad Universitaria, 3er piso, Pab. II, Buenos Aires, C1428EGA, Argentina
UPMC, Pierre and Marie Curie University, Paris 6, 4 Place Jussieu, Paris, 75005, France
Palabras clave:Calculations; Chemical reactions; Excited states; Ions; Naphthalene; Photodissociation; Adiabatic transition energies; Electronic spectrum; Electronic transition; Fragmentation mechanism; Photofragmentation; Subpicosecond time scale; Td-dft calculations; Vibrational progressions; Protonation
Página de inicio:2580
Página de fin:2587
Título revista:Journal of Physical Chemistry A
Título revista abreviado:J Phys Chem A


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---------- APA ----------
Féraud, G., Domenianni, L., Marceca, E., Dedonder-Lardeux, C. & Jouvet, C. (2017) . Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase. Journal of Physical Chemistry A, 121(13), 2580-2587.
---------- CHICAGO ----------
Féraud, G., Domenianni, L., Marceca, E., Dedonder-Lardeux, C., Jouvet, C. "Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase" . Journal of Physical Chemistry A 121, no. 13 (2017) : 2580-2587.
---------- MLA ----------
Féraud, G., Domenianni, L., Marceca, E., Dedonder-Lardeux, C., Jouvet, C. "Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase" . Journal of Physical Chemistry A, vol. 121, no. 13, 2017, pp. 2580-2587.
---------- VANCOUVER ----------
Féraud, G., Domenianni, L., Marceca, E., Dedonder-Lardeux, C., Jouvet, C. Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase. J Phys Chem A. 2017;121(13):2580-2587.