Twisted Intramolecular Charge Transfer in Protonated Amino Pyridine - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry A Année : 2016

Twisted Intramolecular Charge Transfer in Protonated Amino Pyridine

Résumé

The excited state properties of protonated ortho (2-), meta (3-) and para (4-) aminopyridine molecules have been investigated through UV photo fragmentation spectroscopy and excited state couple cluster CC2 calculations. Cryogenic ion spectroscopy allows recording well-resolved vibronic spectroscopy that can be nicely reproduced through Franck Condon simulations of the pp* local minimum of the excited state potential energy surface. The excited state lifetimes have also been measured through a pump-probe excitation scheme and compared to the estimated radiative lifetimes. Although protonated aminopyridines are rather simple aromatic molecules, their deactivation mechanisms are indeed quite complex with unexpected results. In protonated 3-and 4-aminopyridine, the fragmentation yield is negligible around the band origin, which implies the absence of internal conversion to the ground state. Besides, a twisted intramolecular charge transfer reaction is evidenced in protonated 4-aminopyridine around the band origin, while excited state proton transfer from the pyridinic nitrogen to the adjacent carbon atom opens with roughly 500 cm-1 of excess energy.
Fichier principal
Vignette du fichier
APyridine_HAL.pdf (1.15 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-01346468 , version 1 (19-07-2016)

Licence

Paternité - Pas d'utilisation commerciale

Identifiants

Citer

Michel Broquier, Satchin Soorkia, Claude Dedonder-Lardeux, Christophe Jouvet, Patrice Theulé, et al.. Twisted Intramolecular Charge Transfer in Protonated Amino Pyridine. Journal of Physical Chemistry A, 2016, 120 (3797), ⟨10.1021/acs.jpca.6b03510⟩. ⟨hal-01346468⟩
73 Consultations
266 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More