Effect of protonation on the electronic structure of PAH molecules

Abstract : The electronic absorption spectra of isolated protonated polycyclic aromatic hydrocarbon molecules, (PAH)H+, are unknown. Recent interest in the absorption spectra of these stable closed-shell molecules arises from the hypothesis that they may be carriers of the long-known but unidentified Diffuse Interstellar Bands (DIBs) occurring in the visible to infrared spectral range (400-1300 nm). We report here the first experimental detection of the electronic spectrum of protonated naphthalene, the simplest (PAH)H+, in the 500 nm region, providing compelling spectroscopic support for the hypothesis that (PAH)H+ might indeed be carriers of the DIBs. The large protonation-induced shift in the transition energy (> 40%) from the transition of isoelectronic neutral naphthalene (312 nm) is rationalized by a charge transfer state, which is only accessible in the protonated species.
Type de document :
Pré-publication, Document de travail
2010
Liste complète des métadonnées

Littérature citée [23 références]  Voir  Masquer  Télécharger

https://hal.inria.fr/inria-00505202
Contributeur : Christophe Jouvet <>
Soumis le : vendredi 23 juillet 2010 - 07:48:07
Dernière modification le : jeudi 11 janvier 2018 - 06:14:26
Document(s) archivé(s) le : lundi 25 octobre 2010 - 12:11:02

Fichier

protnated_NpH_.pdf
Fichiers produits par l'(les) auteur(s)

Identifiants

  • HAL Id : inria-00505202, version 1

Collections

Citation

Ivan Alata, Reza Omidyan, Claude Dedonder, Michel Broquier, Otto Dopfer, et al.. Effect of protonation on the electronic structure of PAH molecules. 2010. 〈inria-00505202〉

Partager

Métriques

Consultations de la notice

323

Téléchargements de fichiers

314