Electronic excited states of protonated aromatic molecules: Protonated Fluorene
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....
Guardado en:
| Autores principales: | , , , , |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_03010104_v393_n1_p25_Alata |
| Aporte de: |
| id |
todo:paper_03010104_v393_n1_p25_Alata |
|---|---|
| record_format |
dspace |
| spelling |
todo:paper_03010104_v393_n1_p25_Alata2023-10-03T15:18:15Z Electronic excited states of protonated aromatic molecules: Protonated Fluorene Alata, I. Broquier, M. Dedonder, C. Jouvet, C. Marceca, E. Excited state ab initio calculations Photo-fragmentation spectrum Protonated PAHs 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. Fil:Marceca, E. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_03010104_v393_n1_p25_Alata |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
Excited state ab initio calculations Photo-fragmentation spectrum Protonated PAHs |
| spellingShingle |
Excited state ab initio calculations Photo-fragmentation spectrum Protonated PAHs Alata, I. Broquier, M. Dedonder, C. Jouvet, C. Marceca, E. Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| topic_facet |
Excited state ab initio calculations Photo-fragmentation spectrum Protonated PAHs |
| description |
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. |
| format |
JOUR |
| author |
Alata, I. Broquier, M. Dedonder, C. Jouvet, C. Marceca, E. |
| author_facet |
Alata, I. Broquier, M. Dedonder, C. Jouvet, C. Marceca, E. |
| author_sort |
Alata, I. |
| title |
Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| title_short |
Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| title_full |
Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| title_fullStr |
Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| title_full_unstemmed |
Electronic excited states of protonated aromatic molecules: Protonated Fluorene |
| title_sort |
electronic excited states of protonated aromatic molecules: protonated fluorene |
| url |
http://hdl.handle.net/20.500.12110/paper_03010104_v393_n1_p25_Alata |
| work_keys_str_mv |
AT alatai electronicexcitedstatesofprotonatedaromaticmoleculesprotonatedfluorene AT broquierm electronicexcitedstatesofprotonatedaromaticmoleculesprotonatedfluorene AT dedonderc electronicexcitedstatesofprotonatedaromaticmoleculesprotonatedfluorene AT jouvetc electronicexcitedstatesofprotonatedaromaticmoleculesprotonatedfluorene AT marcecae electronicexcitedstatesofprotonatedaromaticmoleculesprotonatedfluorene |
| _version_ |
1807316987106295808 |