INQUIMAE   12526
INSTITUTO DE QUIMICA, FISICA DE LOS MATERIALES, MEDIOAMBIENTE Y ENERGIA
Unidad Ejecutora - UE
artículos
Título:
Electronic excited states of protonated aromatic molecules: Protonated Fluorene
Autor/es:
IVAN ALATA; MICHEL BROQUIER; CLAUDE DEDONDER; CHRISTOPHE JOUVET; ERNESTO MARCECA
Revista:
CHEMICAL PHYSICS
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2012 vol. 393 p. 25 - 25
ISSN:
0301-0104
Resumen:
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.