Hyper-Rayleigh scattering of neutral and charged helicenes

Edith Botek, Milena Spassova, Benoît Champagne, Inge Asselberghs, André Persoons, Koen Clays

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Résumé

Oxidation effects on the hyper-Rayleigh scattering (HRS) second-order nonlinear optical responses of homo- and hetero-helicenes have been investigated using the time-dependent Hartree-Fock approach and the Austin Model 1 semi-empirical Hamiltonian. Upon oxidation, this approach predicts a substantial increase of the HRS response, which, with the exception of tetrathia-[7]- helicene and pentathia-[9]-helicene, is accompanied by a decrease of the depolarization ratio. In the case of helicenes bearing thiophene units, the HRS increase is associated with the presence of a substantial axial contribution to the first hyperpolarizability, whereas the radial component is otherwise dominant.

langue originaleAnglais
Pages (de - à)274-279
Nombre de pages6
journalChemical Physics Letters
Volume412
Numéro de publication4-6
Les DOIs
Etat de la publicationPublié - 5 sept. 2005

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  • Contient cette citation

    Botek, E., Spassova, M., Champagne, B., Asselberghs, I., Persoons, A., & Clays, K. (2005). Hyper-Rayleigh scattering of neutral and charged helicenes. Chemical Physics Letters, 412(4-6), 274-279. https://doi.org/10.1016/j.cplett.2005.06.121