Effect of protonation on the electronic structure of aromatic molecules: naphthaleneH+.

Ivan Alata (1) , Reza Omidyan (1) , Michel Broquier (2) , Claude Dedonder (2) , Otto Dopfer (3) , Christophe Jouvet (2)

1 CLUPS - Centre Laser de l'Université Paris Sud
2 ISMO - Institut des Sciences Moléculaires d'Orsay
3 TU - Technical University of Berlin / Technische Universität Berlin

Protonated naphthalene, the smallest protonated polycyclic aromatic hydrocarbon cation, absorbs in the visible, around 500 nm, which corresponds to an unusually large red shift with respect to the neutral naphthalene counterpart.

Domaines: Chimie théorique et/ou physique

Ivan Alata, Reza Omidyan, Michel Broquier, Claude Dedonder, Otto Dopfer, et al.. Effect of protonation on the electronic structure of aromatic molecules: naphthaleneH+.. Physical Chemistry Chemical Physics, 2010, 12 (43), pp.14456-8. ⟨10.1039/c0cp00792g⟩. ⟨hal-00915200⟩