Electronic excited states of protonated aromatic molecules: Protonated Fluorene

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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....

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Autor principal: Alata, I.
Otros Autores: Broquier, M., Dedonder, C., Jouvet, C., Marceca, E.
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2012
Acceso en línea:Registro en Scopus
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Biblioteca Central Dr. Luis F. Leloir (FCEN) de Universidad de Buenos Aires
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030 |a CMPHC 
100 1 |a Alata, I. 
245 1 0 |a Electronic excited states of protonated aromatic molecules: Protonated Fluorene 
260 |c 2012 
270 1 0 |m Jouvet, C.; CLUPS (Centre Laser de l'Université Paris Sud/LUMAT FR 2764), Bât. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex, France; email: christophe.jouvet@u-psud.fr 
506 |2 openaire  |e Política editorial 
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520 3 |a 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.  |l eng 
536 |a Detalles de la financiación: Université Paris-Saclay, ANR2010BLANC040501 
536 |a Detalles de la financiación: Atomic Energy Commission of Syria 
536 |a Detalles de la financiación: The authors thank Prof. O. Dopfer for helpful discussion. This work has been supported by the Université Paris–Sud 11 , by the ANR research Grant ( ANR2010BLANC040501 ), the PROCOPE 17832NK program and the RTRA “triangle de la physique”. I.A. thanks the Atomic Energy Commission of Syria for financial support. The calculations have been performed on the GMPCS cluster of LUMAT. E.M. has been supported by the CONICET/CNRS exchange program. Appendix A 
593 |a CLUPS (Centre Laser de l'Université Paris Sud/LUMAT FR 2764), Bât. 106, Univ. Paris-Sud 11, 91405 Orsay Cedex, France 
593 |a Institut des Sciences Moléculaires d'Orsay (ISMO, UMR8624 CNRS), Bât. 210, Univ. Paris-Sud 11, 91405 Orsay Cedex, France 
593 |a Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syrian Arab Republic 
593 |a INQUIMAE-FCEN, UBA, Ciudad Universitaria, 3er piso, Pab. II, 1428 Buenos Aires, Argentina 
690 1 0 |a EXCITED STATE AB INITIO CALCULATIONS 
690 1 0 |a PHOTO-FRAGMENTATION SPECTRUM 
690 1 0 |a PROTONATED PAHS 
700 1 |a Broquier, M. 
700 1 |a Dedonder, C. 
700 1 |a Jouvet, C. 
700 1 |a Marceca, E. 
773 0 |d 2012  |g v. 393  |h pp. 25-31  |k n. 1  |p Chem. Phys.  |x 03010104  |w (AR-BaUEN)CENRE-4155  |t Chemical Physics 
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856 4 0 |u https://doi.org/10.1016/j.chemphys.2011.11.013  |y DOI 
856 4 0 |u https://hdl.handle.net/20.500.12110/paper_03010104_v393_n1_p25_Alata  |y Handle 
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