Claessens Christian G, González-Rodríguez David, Torres Tomás, Martín Guillermo, Agulló-López Fernando, Ledoux Isabelle, Zyss Joseph, Ferro Victor R, García de la Vega José M
Departamento de Química Orgánica (C-I), Departamento de Física de Materiales (C-IV), Universidad Autónoma de Madrid, 28049-Madrid, Spain.
J Phys Chem B. 2005 Mar 10;109(9):3800-6. doi: 10.1021/jp045322u.
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.
通过电场诱导二次谐波（EFISH）产生和超瑞利散射（HRS）实验研究了一系列亚硝基酞菁（SubPc）异构体的二阶非线性光学性质。将这些实验值与采用态求和（SOS）和有限场（FF）方法理论计算得到的值进行了比较。从这些研究中可以看出，β张量的偶极贡献很大程度上取决于亚酞菁大环外围的取代模式，而八极贡献基本保持不变。因此，推断出SubPc非常适合用于将八极和偶极对非线性光学响应的贡献解耦。
