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

Muhammad Ramzan Saeed Ashraf Janjua; Saba Jamil; Asif Mahmood; Atifa Zafar; Muhammad Haroon; Haq Nawaz Bhatti

doi:10.1071/CH14736

RESEARCH ARTICLE

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

Muhammad Ramzan Saeed Ashraf Janjua ^A ^B ^D , Saba Jamil ^C ^D , Asif Mahmood ^B , Atifa Zafar ^B , Muhammad Haroon ^B and Haq Nawaz Bhatti ^C

+ Author Affiliations

- Author Affiliations

^A Xinjiang Technical Institute of Physics and Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40–1 South Beijing Road, Urumqi 830011, China.

^B Department of Chemistry, University of Sargodha, Sargodha, Pakistan.

^C Environmental and Material Chemistry Laboratory, Department of Chemistry, University of Agriculture, Faisalabad-38040, Pakistan.

^D Corresponding authors. Email: Janjua@uos.edu.pk; Saba_Hrb@yahoo.com

Australian Journal of Chemistry 68(10) 1502-1507 https://doi.org/10.1071/CH14736
Submitted: 30 December 2014 Accepted: 16 March 2015 Published: 13 April 2015

Abstract

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.

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

Abstract

References

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