title: Two-photon absorption of [2.2]paracyclophane derivatives in solution: a theoretical investigation.
abstract: The two-photon absorption of a class of [2.2]paracyclophane derivatives has been studied using quadratic response and density functional theories. For the molecules investigated, several effects influencing the two-photon absorption spectra have been investigated, such as side-chain elongation, hydrogen bonding, the use of ionic species, and solvent effects, the latter described by the polarizable continuum model. The calculations have been carried out using a recent parallel implementation of the polarizable continuum model in the DALTON code. Special attention is given to those aspects that could explain the large solvent effect on the two-photon absorption cross sections observed experimentally for this class of compounds.
authors.affiliation: Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromso, N-9037 Tromso, Norway.
authors.forename: Lara
authors.initials: L
authors.lastname: Ferrighi
authors.forename: Luca
authors.initials: L
authors.lastname: Frediani
authors.forename: Eirik
authors.initials: E
authors.lastname: Fossgaard
authors.forename: Kenneth
authors.initials: K
authors.lastname: Ruud