title: Binding energy determination in a π-stacked aromatic cluster: the anisole dimer.
abstract: The binding energies of the neutral and positively charged anisole dimer have been determined in molecular beam-laser spectroscopy experiments. This is the first report on the direct experimental determination of the binding energy for an aromatic cluster in π stacked configuration. The anisole dimer is formed by two anisole molecules superimposed in a planar arrangement and it has been proposed as a model system in which the π-stacking interaction, among other intermolecular forces, plays a relevant role. Its binding energy has been determined thanks to both velocity mapping ion/electron imaging experiments and previous spectroscopic information. The binding energy amounts to 3926(250) cm(-1) in the ground state and 4144(250) cm(-1) in the S2 (first spectroscopically accessible) electronic excited state; its value for the positively charged dimer ion increases to 6147(250) cm(-1). These values are quite higher with respect to the results of previous DFT calculations.
authors.affiliation: Dipartimento di Chimica Ugo Schiff-Università di Firenze, via della Lastruccia 3, 50019 Sesto Fiorentino (FI), Italy.
authors.forename: F
authors.initials: F
authors.lastname: Mazzoni
authors.forename: M
authors.initials: M
authors.lastname: Pasquini
authors.forename: G
authors.initials: G
authors.lastname: Pietraperzia
authors.forename: M
authors.initials: M
authors.lastname: Becucci
mesh_terms: D000840:Anisoles / Q000737:chemistry*; D019281:Dimerization; D011789:Quantum Theory
chemical_list: D000840:Anisoles; C060998:anisole