scholarly journals Strong Solvent Effects on the Nonlinear Optical Properties of Z and E isomers from Azo-Enaminone Derivatives

Author(s):  
Daniel Francisco Scalabrini Machado ◽  
Thiago O. Lopes ◽  
Igo Torres Lima ◽  
Demetrio Antonio da Silva Filho ◽  
Heibbe Cristhian Benedito de Oliveira
2016 ◽  
Vol 120 (31) ◽  
pp. 17660-17669 ◽  
Author(s):  
Daniel F. S. Machado ◽  
Thiago O. Lopes ◽  
Igo T. Lima ◽  
Demétrio A. da Silva Filho ◽  
Heibbe C. B. de Oliveira

2016 ◽  
Vol 25 (02) ◽  
pp. 1650016 ◽  
Author(s):  
J. L. Paz ◽  
Luis G. Rodríguez ◽  
Juan F. Cárdenas ◽  
Cesar Costa-Vera

Nonlinear optical properties of a two-level molecular system immersed in a thermal bath have been studied in the present work. Solvent effects were explicitly considered by modeling the non-radiative interaction with the solute as a random variable. The innovation of this treatment is that it allows us to take into account the environment, inducing quantum effects not considered by classical treatment. The major contribution of the methodology proposed in this work, is the implementation of an approximant to the Voigt function as a probability distribution, because it allow us to cover a wider range of possible interactions among the solvent and the molecular system by simple changing the parameters [Formula: see text] and [Formula: see text], associated to the variances of the Lorentzian and Gaussian distributions, respectively.


2017 ◽  
Vol 73 ◽  
pp. 695-705 ◽  
Author(s):  
K.B. Bhavitha ◽  
Anju K. Nair ◽  
Sreekanth Perumbilavil ◽  
Saju Joseph ◽  
M.S. Kala ◽  
...  

2013 ◽  
Vol 91 (12) ◽  
pp. 1303-1309 ◽  
Author(s):  
Muhammad Ramzan Saeed Ashraf Janjua ◽  
Asif Mahmood ◽  
Farooq Ahmad

In this research paper, we have reported solvent effects on nonlinear optical properties of tetrammineruthenium(II) complexes of modified 1,10-phenanthrolines. Polarizability and hyperpolarizability were calculated in the gas phase, benzene (ε = 2.3), THF (ε = 7.52), dichloromethane (ε = 8.93), acetone (ε = 21.01), methanol (ε = 33.00), acetonitrile (ε = 36.64), and water (ε = 80.10) using density functional theory. These solvents cover a wide range of polarities. The results of theoretical investigation have shown that nonlinear optical properties significantly increased with the increase of solvent polarity. Solvent strongly affected hyperpolarizability as compared with polarizability. Nonlinear optical properties were also changed by the change of functional. Hyperpolarizability significantly changed with the change of functional as compared with polarizability. The results of this study indicate that like structural modification, polarity of the medium can significantly change the nonlinear optical properties.


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