Hyper-Rayleigh scattering of neutral and charged helicenes
(2005) Chemical Physics Letters — Vol. 412, n° 4-6, p. 274-279 (2005)
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- 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.
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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, 412(4-6), 274-279. https://doi.org/10.1016/j.cplett.2005.06.121 (Original work published 2005)