Design strategies and structure-property relationships for two-photon absorption in conjugated molecules are described on the basis of correlated quantum-chemical calculations. We first focus on stilbene derivatives with centrosymmetric structures. We found that derivatization of the conjugated molecule with electroactive groups in a quadrupolar-like arrangement leads to a large increase in the two-photon absorption cross section, δ. Next, we consider a noncentrosymmetric dipolar compound built by grafting donor and acceptor end-groups on stilbene. In this case also, the calculations predict huge enhancement factors in δ upon substitution. In both cases (centrosymmetric and noncentrosymmetric compounds), the quantum-chemical description provides rich insight into the mechanisms for the two-photon absorption phenomenon.
CITATION STYLE
Beljonne, D., Kogej, T., Marder, S. R., Perry, J. W., & Bredas, J. L. (1999). Theoretical design of organic chromophores with large two-photon absorption cross-sections. Molecular Crystals and Liquid Crystals Science and Technology Section B: Nonlinear Optics, 21(1–4), 461–480. https://doi.org/10.1007/978-94-011-4056-0_5
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