TY - JOUR
T1 - Hyper-Rayleigh scattering of neutral and charged helicenes
AU - Botek, Edith
AU - Spassova, Milena
AU - Champagne, Benoît
AU - Asselberghs, Inge
AU - Persoons, André
AU - Clays, Koen
PY - 2005/9/5
Y1 - 2005/9/5
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=23944516752&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2005.06.121
DO - 10.1016/j.cplett.2005.06.121
M3 - Article
AN - SCOPUS:23944516752
SN - 0009-2614
VL - 412
SP - 274
EP - 279
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -