Binding energy determination in a pi-stacked aromatic cluster: the anisole dimer

作者：Mazzoni F; Pasquini M; Pietraperzia G; Becucci M^*

来源：Physical Chemistry Chemical Physics, 2013, 15(27): 11268-11274.

DOI：10.1039/c3cp50191d

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 p 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 p-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 S-2 (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.

• 出版日期2013