Hyper-Rayleigh scattering of neutral and charged helicenes

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

Résultats de recherche: Contribution à un journal/une revueArticle

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
étatPublié - 5 sept. 2005

Empreinte digitale

Rayleigh scattering
Bearings (structural)
Hamiltonians
Thiophenes
Oxidation
oxidation
Depolarization
thiophenes
depolarization
helicenes

Citer ceci

Botek, Edith ; Spassova, Milena ; Champagne, Benoît ; Asselberghs, Inge ; Persoons, André ; Clays, Koen. / Hyper-Rayleigh scattering of neutral and charged helicenes. Dans: Chemical Physics Letters. 2005 ; Vol 412, Numéro 4-6. p. 274-279.
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Botek, E, Spassova, M, Champagne, B, Asselberghs, I, Persoons, A & Clays, K 2005, 'Hyper-Rayleigh scattering of neutral and charged helicenes', Chemical Physics Letters, VOL. 412, Numéro 4-6, p. 274-279. https://doi.org/10.1016/j.cplett.2005.06.121

Hyper-Rayleigh scattering of neutral and charged helicenes. / Botek, Edith; Spassova, Milena; Champagne, Benoît; Asselberghs, Inge; Persoons, André; Clays, Koen.

Dans: Chemical Physics Letters, Vol 412, Numéro 4-6, 05.09.2005, p. 274-279.

Résultats de recherche: Contribution à un journal/une revueArticle

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AU - Champagne, Benoît

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