title: Structural modulation of the dipolar-octupolar contributions to the NLO response in subphthalocyanines.
abstract: Second order nonlinear optical properties of a series of trinitrosubphthalocyanine (SubPc) isomers were studied experimentally by electric field induced second harmonic (EFISH) generation and hyper Rayleigh scattering (HRS). These experimental values were compared to the ones obtained theoretically employing both sum over states (SOS) and finite field (FF) methods. From these studies, it was shown that the dipolar contributions to the beta tensor are very much dependent on the substitution pattern at the periphery of the subphthalocyanine macrocycle, whereas the octupolar contributions remain mostly unchanged. Consequently, it was deduced that SubPc is extremely well suited for the decoupling of octupolar and dipolar contribution to the NLO response.
authors.affiliation: Departamento de Química Orgánica (C-I), Departamento de Física de Materiales (C-IV), Universidad Autónoma de Madrid, 28049-Madrid, Spain.
authors.forename: Christian G
authors.initials: CG
authors.lastname: Claessens
authors.forename: David
authors.initials: D
authors.lastname: González-Rodríguez
authors.forename: Tomás
authors.initials: T
authors.lastname: Torres
authors.forename: Guillermo
authors.initials: G
authors.lastname: Martín
authors.forename: Fernando
authors.initials: F
authors.lastname: Agulló-López
authors.forename: Isabelle
authors.initials: I
authors.lastname: Ledoux
authors.forename: Joseph
authors.initials: J
authors.lastname: Zyss
authors.forename: Victor R
authors.initials: VR
authors.lastname: Ferro
authors.forename: José M
authors.initials: JM
authors.lastname: García de la Vega