title: Microhydration effects on the electronic spectra of protonated polycyclic aromatic hydrocarbons: [naphthalene-(H2O)(n = 1,2)]H+.
abstract: Vibrational and electronic spectra of protonated naphthalene (NaphH(+)) microsolvated by one and two water molecules were obtained by photofragmentation spectroscopy. The IR spectrum of the monohydrated species is consistent with a structure with the proton located on the aromatic molecule, NaphH(+)-H(2)O. Similar to isolated NaphH(+), the first electronic transition of NaphH(+)-H(2)O (S(1)) occurs in the visible range near 500 nm. The doubly hydrated species lacks any absorption in the visible range (420-600 nm) but absorbs in the UV range, similar to neutral Naph. This observation is consistent with a structure, in which the proton is located on the water moiety, Naph-(H(2)O)(2)H(+). Ab initio calculations for [Naph-(H(2)O)(n)]H(+) confirm that the excess proton transfers from Naph to the solvent cluster upon attachment of the second water molecule.
authors.affiliation: Centre Laser de l'Université Paris Sud, Université Paris Sud, Orsay, France.
authors.forename: Ivan
authors.initials: I
authors.lastname: Alata
authors.forename: Michel
authors.initials: M
authors.lastname: Broquier
authors.forename: Claude
authors.initials: C
authors.lastname: Dedonder-Lardeux
authors.forename: Christophe
authors.initials: C
authors.lastname: Jouvet
authors.forename: Minho
authors.initials: M
authors.lastname: Kim
authors.forename: Woon Yong
authors.initials: WY
authors.lastname: Sohn
authors.forename: Sang-su
authors.initials: SS
authors.lastname: Kim
authors.forename: Hyuk
authors.initials: H
authors.lastname: Kang
authors.forename: Markus
authors.initials: M
authors.lastname: Schütz
authors.forename: Alexander
authors.initials: A
authors.lastname: Patzer
authors.forename: Otto
authors.initials: O
authors.lastname: Dopfer
mesh_terms: D004583:Electrons; D008958:Models, Molecular; D008968:Molecular Conformation; D009281:Naphthalenes / Q000737:chemistry*; D011522:Protons; D012997:Solvents / Q000737:chemistry; D013055:Spectrophotometry, Infrared; D014867:Water / Q000737:chemistry*
chemical_list: D009281:Naphthalenes; D011522:Protons; D012997:Solvents; D014867:Water; C031721:naphthalene