Title: Hyper-Rayleigh scattering of neutral and charged helicenes
Authors: Botek, E ×
Spassova, M
Champagne, B
Asselberghs, Inge
Persoons, Andre
Clays, Koen #
Issue Date: Sep-2005
Publisher: Elsevier science bv
Series Title: Chemical Physics Letters vol:412 issue:4-6 pages:274-279
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 I 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. (c) 2005 Elsevier B.V. All rights reserved.
ISSN: 0009-2614
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Molecular Imaging and Photonics
× corresponding author
# (joint) last author

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