Abstract

Materials engineering plays a pivotal role in the modern technologies and individual solutions for various applications. In this contribution we describe two pyrazolone-based organic chromophores that differ slightly in structure, but represent a significantly various spectroscopic response. Based on the quantum-chemical calculations, namely TD-DFT model, HOMO-LUMO maps estimation, we have implemented both derivatives in the 2nd and 3rd order nonlinear optical (NLO) experiments. Pyrazolone-based organic systems occurred to be sensitive and appealing all-optical modulators as well as SHG and THG signals generators. The presence of a small methoxy group or its lack in the dye structure directly affects the kinetics of photoinduced birefringence, and its magnification. Moreover, it allows to determine the ease modulation of higher harmonic of the light induction according to the provided experimental polarization spatial conditions. Such approach enables to design and implement individually adjusted organic components to the complex opto-electronic networks and highly effective photonic architectures.

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