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Enhancing the electronic properties and quantum efficiency of sulfonyl/phosphoryl-substituted blue iridium complexes via different ancillary ligands.

Authors :
Si, Yanling
Zhang, Shuai
Qu, Nan
Luan, Guoyou
Wu, Zhijian
Source :
New Journal of Chemistry; May2015, Vol. 39 Issue 5, p4147-4153, 7p
Publication Year :
2015

Abstract

A DFT/TDDFT investigation was performed on the electronic structures, absorption and emission properties, as well as the phosphorescence efficiency of the recently synthesized Ir(iii) complexes SOFIrpic (1a) and POFIrpic (2a) with sulfonyl/phosphoryl substituted 2-(2,4-difluorophenyl)pyridine (dfppy) as the cyclometalated ligand. The calculated absorption and emission wavelengths are in agreement with experimental data. The higher quantum yield of experimental observation for 1a compared with 2a was explained by its smaller energy separation between the singlet S<subscript>1</subscript> and the triplet T<subscript>3</subscript> states. Based on these experimental structures, a series of cyclometalated Ir(iii) complexes (1b, 1c, 1d and 2b, 2c, 2d) have been designed by introduction of different ancillary ligands. The calculated results reveal that the different ancillary ligands not only tune the energy gap but also enhance the photoluminescence quantum efficiency. It is expected that the designed complexes 1b, 2b and 2c could be potential candidates as blue-emitting materials with high quantum efficiency. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
11440546
Volume :
39
Issue :
5
Database :
Complementary Index
Journal :
New Journal of Chemistry
Publication Type :
Academic Journal
Accession number :
102487833
Full Text :
https://doi.org/10.1039/c5nj00316d