Push–pull unsymmetrical substitution in nickel(ii) complexes with tetradentate N2O2 Schiff base ligands: synthesis, structures and linear–nonlinear optical studies

2019 ◽  
Vol 48 (30) ◽  
pp. 11217-11234 ◽  
Author(s):  
Luca Rigamonti ◽  
Alessandra Forni ◽  
Stefania Righetto ◽  
Alessandro Pasini

Push–pull unsymmetrical substitution efficiently modulates the electronic, linear and nonlinear optical properties of nickel(ii) complexes with salen-type ligands.

2019 ◽  
Vol 2019 ◽  
pp. 1-12 ◽  
Author(s):  
Clodoaldo Valverde ◽  
Ítalo Nuta Ribeiro ◽  
João Victor B. Soares ◽  
Basílio Baseia ◽  
Francisco A. P. Osório

In this work, the density functional theory (DFT) calculation combined with a polarizable continuum model (PCM) was used to study the solvent media effects on the electrical and geometrical behaviors of the Schiff-base derivative, (E)-4-[({4-[(pyridin-2-ilmetilideno)amino]phenyl}amino)-metil]fenol (EPAF). The linear and nonlinear optics parameters, as the dipole moment, linear polarizability, and first and second hyperpolarizabilities, were calculated at DFT/B3LYP/6-311+G(d) level, for the EPAF molecule in several solvent media. The dynamic behavior of the Hyper-Rayleigh Scattering (HRS) first hyperpolarizability was studied as function of the electric field frequency. The results presented for HRS first hyperpolarizability suggest that the studied crystal has good nonlinear optical properties. In addition, the gap energy was calculated from the HOMO-LUMO energies difference in several solvent media. The EPAF crystal intermolecular interactions were studied by the Hirshfeld surface analysis. The third-order electric susceptibility χ(3) of the crystal EPAF was also calculated, indicating the EPAF crystal as a promising candidate for NLO applications in photonic and optoelectronic devices.


1990 ◽  
Author(s):  
Tapio T. Rantala ◽  
Mark I. Stockman ◽  
Daniel A. Jelski ◽  
Thomas F. George

Author(s):  
Francisco Germán Mejía-Hernández ◽  
Oscar Javier Hernández-Ortíz ◽  
Francisco Misael Muñoz-Pérez ◽  
Armando Irving Martínez-Pérez ◽  
Rosa Angeles Vázquez-García ◽  
...  

2021 ◽  
Vol 573 (1) ◽  
pp. 52-62
Author(s):  
Siddique Aneesa-Fatema ◽  
Y. B. Rasal ◽  
R. N. Shaikh ◽  
M. D. Shirsat ◽  
S. S. Hussaini ◽  
...  

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