Artículo
Alata, I.; Broquier, M.; Dedonder, C.; Jouvet, C.; Marceca, E. "Electronic excited states of protonated aromatic molecules: Protonated Fluorene" (2012) Chemical Physics. 393(1):25-31
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Abstract:
The photo-fragmentation spectrum of protonated fluorene has been recorded in the visible spectral region, evidencing an absorption that appears largely red shifted in comparison to that of the neutral molecule fluorene. The spectrum shows two different vibrational progressions, separated by 0.19 eV. As in the case of protonated linear polycyclic aromatic hydrocarbons (PAHs), comparison of the measured spectra with ab initio calculations allows to associate the observed absorption shift with the charge transfer character of the excited state. The spectra can be properly simulated by geometry optimization of the ground and excited states, followed by Franck Condon analysis. The two vibrational bands progressions observed are assigned, with relatively good confidence, to the existence of two different conformers. © 2011 Elsevier B.V. All rights reserved.
Registro:
| Documento: | Artículo |
| Título: | Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| Autor: | Alata, I.; Broquier, M.; Dedonder, C.; Jouvet, C.; Marceca, E. |
| Filiación: | CLUPS (Centre Laser de l'Université Paris Sud/LUMAT FR 2764), Bât. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex, France Institut des Sciences Moléculaires d'Orsay (ISMO, UMR8624 CNRS), Bât. 210, Univ. Paris-Sud 11, 91405 Orsay Cedex, France Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syrian Arab Republic INQUIMAE-FCEN, UBA, Ciudad Universitaria, 3er piso, Pab. II, 1428 Buenos Aires, Argentina |
| Palabras clave: | Excited state ab initio calculations; Photo-fragmentation spectrum; Protonated PAHs |
| Año: | 2012 |
| Volumen: | 393 |
| Número: | 1 |
| Página de inicio: | 25 |
| Página de fin: | 31 |
| DOI: | http://dx.doi.org/10.1016/j.chemphys.2011.11.013 |
| Título revista: | Chemical Physics |
| Título revista abreviado: | Chem. Phys. |
| ISSN: | 03010104 |
| CODEN: | CMPHC |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03010104_v393_n1_p25_Alata |
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Citas:
---------- APA ----------
Alata, I., Broquier, M., Dedonder, C., Jouvet, C. & Marceca, E. (2012) . Electronic excited states of protonated aromatic molecules: Protonated Fluorene. Chemical Physics, 393(1), 25-31.http://dx.doi.org/10.1016/j.chemphys.2011.11.013
---------- CHICAGO ----------
Alata, I., Broquier, M., Dedonder, C., Jouvet, C., Marceca, E. "Electronic excited states of protonated aromatic molecules: Protonated Fluorene" . Chemical Physics 393, no. 1 (2012) : 25-31.http://dx.doi.org/10.1016/j.chemphys.2011.11.013
---------- MLA ----------
Alata, I., Broquier, M., Dedonder, C., Jouvet, C., Marceca, E. "Electronic excited states of protonated aromatic molecules: Protonated Fluorene" . Chemical Physics, vol. 393, no. 1, 2012, pp. 25-31.http://dx.doi.org/10.1016/j.chemphys.2011.11.013
---------- VANCOUVER ----------
Alata, I., Broquier, M., Dedonder, C., Jouvet, C., Marceca, E. Electronic excited states of protonated aromatic molecules: Protonated Fluorene. Chem. Phys. 2012;393(1):25-31.http://dx.doi.org/10.1016/j.chemphys.2011.11.013
