Effects of Conjugation in Length and Dimension on Two-Photon Properties of Fluorene-Based Chromophores (Preprint).

摘要

We report the computed two-photon (TPA) absorption spectra based upon the results obtained from quadratic response time-dependent density functional theory for fluorine-based donor-pi-acceptor molecules. Coulomb attenuated functionals with a long-range exchange contribution are applied to predict TPA excitation energies and cross sections and to account for the observed spectral anomalies. The effects of conjugation and multibranching on the TPA spectra are discussed.