Article

Structural modulation of the dipolar-octupolar contributions to the NLO response in subphthalocyanines.

Departamento de Química Orgánica (C-I), Departamento de Física de Materiales (C-IV), Universidad Autónoma de Madrid, 28049-Madrid, Spain.
The Journal of Physical Chemistry B (impact factor: 3.7). 04/2005; 109(9):3800-6. DOI:10.1021/jp045322u
Source: PubMed

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.

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Keywords

dipolar contribution
 
dipolar contributions
 
electric field induced second harmonic
 
experimental values
 
FF
 
hyper Rayleigh scattering
 
NLO response
 
Second order nonlinear optical properties
 
SOS
 
SubPc
 
subphthalocyanine macrocycle
 
substitution pattern
 
theoretically
 
trinitrosubphthalocyanine