Electronic spectra of the protonated indole chromophore in the gas phase
The electronic spectroscopy of cold protonated indole was investigated experimentally and theoretically. Two isomers were observed by experiment: The first isomer corresponds to the lowest-energy isomer in the calculations, absorbing at ∼350 nm and protonated on the C3 atom of the pyrrole ring. Acco...
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2013
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| LEADER | 14644caa a22013937a 4500 | ||
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| 001 | PAPER-11546 | ||
| 003 | AR-BaUEN | ||
| 005 | 20230518204142.0 | ||
| 008 | 190411s2013 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-84878347996 | |
| 024 | 7 | |2 cas |a proton, 12408-02-5, 12586-59-3; Gases; Indoles; Protons | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 030 | |a JPCAF | ||
| 100 | 1 | |a Alata, I. | |
| 245 | 1 | 0 | |a Electronic spectra of the protonated indole chromophore in the gas phase |
| 260 | |c 2013 | ||
| 270 | 1 | 0 | |m Jouvet, C.; CLUPS (Centre Laser de l'Université Paris-Sud/LUMAT FR 2764), Université Paris-Sud, 91405 Orsay Cedex, France; email: christophe.jouvet@univ-amu.fr |
| 506 | |2 openaire |e Política editorial | ||
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| 520 | 3 | |a The electronic spectroscopy of cold protonated indole was investigated experimentally and theoretically. Two isomers were observed by experiment: The first isomer corresponds to the lowest-energy isomer in the calculations, absorbing at ∼350 nm and protonated on the C3 atom of the pyrrole ring. According to our calculations, the absorptions of the other isomers protonated on carbon atoms (C2, C4, C5, C 6, and C7) are in the visible region. Indeed, the absorption of the second observed isomer starts at 488 nm and was assigned to protonation on the C2 carbon of the pyrrole ring. Because good agreement was obtained between the calculated and experimental transitions for the observed isomers, reasonable ab initio transition energies can also be expected for the higher-energy isomers protonated on other carbon atoms, which should also absorb in the visible region. Protonation on the nitrogen atom leads to a transition that is blue-shifted with respect to that of the most stable isomer. © 2013 American Chemical Society. |l eng | |
| 593 | |a CLUPS (Centre Laser de l'Université Paris-Sud/LUMAT FR 2764), Université Paris-Sud, 91405 Orsay Cedex, France | ||
| 593 | |a Institut des Sciences Moléculaires d'Orsay (ISMO, UMR 8214 CNRS), Université Paris-Sud, 91405 Orsay Cedex, France | ||
| 593 | |a Atomic Energy Commission of Syria, P.O. Box 6091, Damascus, Syrian Arab Republic | ||
| 593 | |a PIIM, Aix-Marseille Université, UMR-CNRS 7345, Avenue Escadrille Normandie-Niémen, 13397 Marseille cedex 20, France | ||
| 593 | |a Laboratoire de Physique des Lasers, Université Paris 13, CNRS, 93430 Villetaneuse, France | ||
| 593 | |a INQUIMAE-FCEN, UBA, Ciudad Universitaria, 3er piso, 1428 Buenos Aires, Argentina | ||
| 690 | 1 | 0 | |a A TRANSITIONS |
| 690 | 1 | 0 | |a ELECTRONIC SPECTROSCOPY |
| 690 | 1 | 0 | |a ELECTRONIC SPECTRUM |
| 690 | 1 | 0 | |a LOWEST-ENERGY ISOMERS |
| 690 | 1 | 0 | |a NITROGEN ATOM |
| 690 | 1 | 0 | |a STABLE ISOMERS |
| 690 | 1 | 0 | |a TRANSITION ENERGY |
| 690 | 1 | 0 | |a VISIBLE REGION |
| 690 | 1 | 0 | |a AROMATIC COMPOUNDS |
| 690 | 1 | 0 | |a ATOMS |
| 690 | 1 | 0 | |a CALCULATIONS |
| 690 | 1 | 0 | |a CHROMOPHORES |
| 690 | 1 | 0 | |a POLYCYCLIC AROMATIC HYDROCARBONS |
| 690 | 1 | 0 | |a PROTONATION |
| 690 | 1 | 0 | |a ISOMERS |
| 690 | 1 | 0 | |a INDOLE DERIVATIVE |
| 690 | 1 | 0 | |a PROTON |
| 690 | 1 | 0 | |a ARTICLE |
| 690 | 1 | 0 | |a CHEMISTRY |
| 690 | 1 | 0 | |a GAS |
| 690 | 1 | 0 | |a QUANTUM THEORY |
| 690 | 1 | 0 | |a ULTRAVIOLET SPECTROPHOTOMETRY |
| 690 | 1 | 0 | |a PROTONS |
| 690 | 1 | 0 | |a QUANTUM THEORY |
| 690 | 1 | 0 | |a SPECTROPHOTOMETRY, ULTRAVIOLET |
| 650 | 1 | 7 | |2 spines |a CARBON |
| 650 | 1 | 7 | |2 spines |a GASES |
| 650 | 1 | 7 | |2 spines |a INDOLES |
| 700 | 1 | |a Bert, J. | |
| 700 | 1 | |a Broquier, M. | |
| 700 | 1 | |a Dedonder, C. | |
| 700 | 1 | |a Feraud, G. | |
| 700 | 1 | |a Grégoire, G. | |
| 700 | 1 | |a Soorkia, S. | |
| 700 | 1 | |a Marceca, E. | |
| 700 | 1 | |a Jouvet, C. | |
| 773 | 0 | |d 2013 |g v. 117 |h pp. 4420-4427 |k n. 21 |p J Phys Chem A |x 10895639 |t Journal of Physical Chemistry A | |
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