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Updated: May 14, 2026

Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
Experimental and theoretical investigation of optical nonlinearities in (nitrovinyl)-1H-pyrazole derivative
Y Dwivedi1, L de Boni, P J Gonçalves
1Instituto de Física de São Carlos, Universidade de São Paulo, Caixa Postal 369, 13560-970 São Carlos, SP, Brazil.
Abstract:
This work reports on the optical nonlinearities of a newly synthesized pyrazole derivative, namely (E)-1-(4-chlorophenyl)-4-(2-nitrovinyl)-1H-pyrazole. The Z-scan technique with femtosecond laser pulses was used to determine the two-photon absorption (2PA) cross-section spectrum, which presents a maximum of 67 GM at 690 nm. We have combined hyper-Rayleigh scattering (HRS) experiments and second-order Møller-Plesset perturbation theory (MP2) calculations to study the first hyperpolarizability (β(HRS)). It was found that the MP2/6-311+G(d) model, taking into account solvent and dispersion effects, provides the β(HRS) value of 40×10(-30) cm(5)/esu for the compound, in good agreement with the experimental result of 45±2×10(-30) cm(5)/esu.
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