Solvent-Dependent Non-Linear Optical Properties of 5,5′-Disubstituted-2,2′-bipyridine Complexes of Ruthenium(II): A Quantum Chemical Perspective

2015 ◽  
Vol 68 (10) ◽  
pp. 1502 ◽  
Author(s):  
Muhammad Ramzan Saeed Ashraf Janjua ◽  
Saba Jamil ◽  
Asif Mahmood ◽  
Atifa Zafar ◽  
Muhammad Haroon ◽  
...  
Keyword(s):  
Optical Properties ◽  
Density Functional ◽  
Solvent Polarity ◽  
Functional Theory ◽  
Nlo Properties ◽  
Structural Modifications ◽  
Wide Range ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical

In this research article, we reported solvent effects on non-linear optical (NLO) properties of 5,5′-disubstituted-2,2′-bipyridine complexes of ruthenium. The polarizability (α) and hyperpolarizability (β) were calculated in the gas phase. Benzene (ϵ (dielectric constant) = 2.3), THF (ϵ = 7.52), dichloromethane (ϵ = 8.93), acetone (ϵ = 21.01), methanol (ϵ = 33.00), and water (ϵ = 80.10) were used by density functional theory. These solvents cover a wide range of polarities. The results of theoretical investigation showed that the non-linear optical properties were significantly increased with the increase in solvent polarity. The results of this study also showed that similarly to structural modifications, polarity of the medium may play a significant role in modulating the NLO properties.

First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds

2016 ◽  
Vol 69 (4) ◽  
pp. 467 ◽  
Author(s):  
Muhammad Ramzan Saeed Ashraf Janjua ◽  
Zain Hassan Yamani ◽  
Saba Jamil ◽  
Asif Mahmood ◽  
Imran Ahmad ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Absorption Spectra ◽  
Density Functional ◽  
Conjugation Length ◽  
Functional Theory ◽  
Nlo Properties ◽  
Non Linear ◽  
Design Computation ◽  
Notable Increase ◽  
Linear Optical

In this study, density functional theory and time-dependent density functional theory are used to determine how the size of π-conjugated system influences the absorption spectra and non-linear optical (NLO) properties of dyes. Double and triple bonds, as well the benzene rings, are used in conjugated systems. The results of the theoretical computation show that the absorption spectra are gradually broadened and red-shifted with increases in the conjugation length. Theoretical examination of the NLO properties was performed on the key parameters of polarizability and hyperpolarizability. A notable increase in the non-linear optical response was observed with an increase in the conjugation length of the π-spacer.

scholarly journals Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens

2018 ◽  
Vol 2 (12) ◽  
pp. 2263-2271 ◽  
Author(s):  
Jianbo Xiong ◽  
Xinyue Li ◽  
Chunqing Yuan ◽  
Sergey Semin ◽  
Zhaoquan Yao ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Calculations ◽  
Experimental Results ◽  
Nlo Properties ◽  
Aggregation Induced Emission ◽  
Non Linear ◽  
Potential Applications ◽  
Linear Optical Properties ◽  
Linear Optical

Studies of the non-linear optical properties of classical AIEgens are rare, despite their important potential applications in organic composite photonic circuits. Here, we present experimental results, supported by theoretical calculations, of the non-linear optical (NLO) properties of TPE and its halogenated derivates.

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