, Volume 120, Issue 1-3, pp 167-175
Date: 04 May 2007

Effects of conjugation in length and dimension on two-photon properties of fluorene-based chromophores

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Abstract

We report calculated two-photon (TPA) absorption spectra based upon results obtained from quadratic response time-dependent density functional theory for fluorene-based donor-π-acceptor molecules. Coulomb attenuated functionals with a long-range exchange contribution are applied to predict TPA excitation energies and cross-sections. Observed spectra are explained, and the effects of conjugation and multibranching on the TPA spectra are discussed.

Contribution of the Mark S. Gordon 65th Birthday Festschrift Issue.