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Materials 2017, 10(10), 1061; doi:10.3390/ma10101061

Spectroscopic, Electrochemical and DFT Studies of Phosphorescent Homoleptic Cyclometalated Iridium(III) Complexes Based on Substituted 4-Fluorophenylvinyl- and 4-Methoxyphenylvinylquinolines

1
Department of Chemistry, College of Science, Engineering and Technology, University of South Africa, Private Bag X6, Florida 1710, South Africa
2
Department of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife, Nigeria
3
Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit 80837, Mauritius
*
Author to whom correspondence should be addressed.
Received: 14 August 2017 / Revised: 31 August 2017 / Accepted: 6 September 2017 / Published: 21 September 2017
(This article belongs to the Section Materials for Energy Applications)
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Abstract

This study reports the synthesis and comparative investigation of the substituent effects of a new series of highly luminescent homoleptic tris-cyclometalated iridium(III) complexes of the type [Ir(N˄C)3]. These are based on two ligand type derivatives comprising of 4-fluorophenylvinylquinolines and 4-methoxyphenylvinylquinolines with electron-donating and/or electron-withdrawing groups as aryl substituents at 2-position. The structures of the ligands and their complexes were characterized by means of FT-IR, UV-Vis and NMR spectrometry complemented with photoluminescence and cyclic voltammetry. The photophysical properties of 2-aryl-4-(4-fluorophenylvinyl)quinoline and its corresponding complex were also studied using the density functional theory method. The photoluminescent properties of the ligands and the corresponding complexes showed high fluorescent intensities and quantum yields in solvents of different polarities. The photoluminescence spectra of the complexes in solid film, showed common transmission curves at longer wavelengths maximum (λem = 697 nm) possibly originating from the interference of scattered light of higher-order transmission of monochromators. View Full-Text
Keywords: cyclometalated iridium(III) complexes; 4-fluorophenylvinylquinoline; 4-methoxyphenylvinylquinoline; photophysical properties; phosphorescence; electrochemistry; DFT cyclometalated iridium(III) complexes; 4-fluorophenylvinylquinoline; 4-methoxyphenylvinylquinoline; photophysical properties; phosphorescence; electrochemistry; DFT
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Adeloye, A.O.; Mphahlele, M.J.; Adekunle, A.S.; Rhyman, L.; Ramasami, P. Spectroscopic, Electrochemical and DFT Studies of Phosphorescent Homoleptic Cyclometalated Iridium(III) Complexes Based on Substituted 4-Fluorophenylvinyl- and 4-Methoxyphenylvinylquinolines. Materials 2017, 10, 1061.

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