Hyper-Rayleigh scattering of neutral and charged helicenes

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

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Pages (from-to)274-279
Number of pages6
JournalChemical Physics Letters
Volume412
Issue number4-6
DOIs
Publication statusPublished - 5 Sep 2005

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

Cite this

Botek, Edith ; Spassova, Milena ; Champagne, Benoît ; Asselberghs, Inge ; Persoons, André ; Clays, Koen. / Hyper-Rayleigh scattering of neutral and charged helicenes. In: Chemical Physics Letters. 2005 ; Vol. 412, No. 4-6. pp. 274-279.
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Hyper-Rayleigh scattering of neutral and charged helicenes. / Botek, Edith; Spassova, Milena; Champagne, Benoît; Asselberghs, Inge; Persoons, André; Clays, Koen.

In: Chemical Physics Letters, Vol. 412, No. 4-6, 05.09.2005, p. 274-279.

Research output: Contribution to journalArticle

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AU - Botek, Edith

AU - Spassova, Milena

AU - Champagne, Benoît

AU - Asselberghs, Inge

AU - Persoons, André

AU - Clays, Koen

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