Tris-cyclometalated Iridium(III) Complexes with Three Different Ligands: a New Example with 2-(2,4-Difluorophenyl)pyridine-Based Complex

• Published in: Helvetica chimica acta Vol. 97; no. 7; pp. 939 - 956
• Main Authors: Lepeltier, Marc, Dumur, Frédéric, Graff, Bernadette, Xiao, Pu, Gigmes, Didier, Lalevée, Jacques, Mayer, Cédric R.
• Format: Journal Article
• Language: English
• Published: Zürich WILEY-VCH Verlag 01-07-2014; WILEY‐VCH Verlag; Wiley Subscription Services, Inc; Wiley
• Subjects: 4-difluorophenyl; Chemical Sciences; Density-functional theory (DFT); Iridium complex; Ligands; Material chemistry; Photoluminescense; Pyridine; Pyridine, 2‐(2,4‐difluorophenyl)
• ISSN: 0018-019X; 1522-2675
• DOI: 10.1002/hlca.201300339

An iridium(III) complex comprising three different cyclometalated phenylpyridine‐based ligands was designed and synthesized. Interestingly, mixed‐ligand complexes could be obtained by using a simple and straightforward procedure. A tris(heteroleptic) IrIII complex was obtained as a mixture of stereoisomers that could not be separated. Photophysical properties of the tris(heteroleptic) complex was investigated by UV/VIS absorption and luminescence spectroscopy, and compared with those of the parent homoleptic complexes. Modelling by time‐dependent density functional theory (TD‐DFT) was also performed to elucidate the nature and the location of the excited state, and to support the experimental results.