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Abstract:

The vibrationally resolved electronic spectra of isolated protonated polycyclic aromatic hydrocarbons (PAHs)-naphthalene, anthracene, and tetracene-have been recorded via neutral photofragment spectroscopy. The S 1←S0 transitions are all in the visible region and do not show a monotonic red shift as a function of the molecular size, as observed for the neutral analogues. Comparison with ab initio calculations indicates that this behavior is due to the nature of the excited state, which has a pronounced charge-transfer character for protonated linear PAHs with an even number of aromatic rings. © 2010 American Chemical Society.

Registro:

Documento: Artículo
Título:Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules
Autor:Alata, I.; Dedonder, C.; Broquier, M.; Marceca, E.; Jouvet, C.
Filiación:Centre Laser de l'Université Paris Sud (LUMAT FR 2764), Bât. 106, Université Paris-Sud 11, 91405 Orsay Cedex, France
Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syrian Arab Republic
Institut des Sciences Moléculaires d'Orsay, Bât. 210, Université Paris-Sud 11, 91405 Orsay Cedex, France
INQUIMAE-FCEN, UBA, Ciudad Universitaria, 3er piso, Pab. II, 1428 Buenos Aires, Argentina
Palabras clave:Calculations; Charge transfer; Excited states; Hydrocarbons; Molecules; Naphthalene; Protonation; Ab initio calculations; Charge transfer state; Electronic absorption; Electronic spectrum; Hydrocarbon molecules; Photofragments; Polycyclic aromatic hydrocarbons (PAHS); Vibrationally resolved; Polycyclic aromatic hydrocarbons; anthracene; naphthacene; naphthalene; polycyclic aromatic hydrocarbon; unclassified drug; ab initio calculation; absorption spectroscopy; analytic method; article; intermethod comparison; molecular size; molecule; neutral photofragment spectroscopy; proton transport; vibration; vibrational analysis
Año:2010
Volumen:132
Número:49
Página de inicio:17483
Página de fin:17489
DOI: http://dx.doi.org/10.1021/ja106424f
Título revista:Journal of the American Chemical Society
Título revista abreviado:J. Am. Chem. Soc.
ISSN:00027863
CODEN:JACSA
CAS:anthracene, 120-12-7; naphthalene, 91-20-3
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00027863_v132_n49_p17483_Alata

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Citas:

---------- APA ----------
Alata, I., Dedonder, C., Broquier, M., Marceca, E. & Jouvet, C. (2010) . Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules. Journal of the American Chemical Society, 132(49), 17483-17489.
http://dx.doi.org/10.1021/ja106424f
---------- CHICAGO ----------
Alata, I., Dedonder, C., Broquier, M., Marceca, E., Jouvet, C. "Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules" . Journal of the American Chemical Society 132, no. 49 (2010) : 17483-17489.
http://dx.doi.org/10.1021/ja106424f
---------- MLA ----------
Alata, I., Dedonder, C., Broquier, M., Marceca, E., Jouvet, C. "Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules" . Journal of the American Chemical Society, vol. 132, no. 49, 2010, pp. 17483-17489.
http://dx.doi.org/10.1021/ja106424f
---------- VANCOUVER ----------
Alata, I., Dedonder, C., Broquier, M., Marceca, E., Jouvet, C. Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules. J. Am. Chem. Soc. 2010;132(49):17483-17489.
http://dx.doi.org/10.1021/ja106424f