Organometallics
Organometallics
5 years ago

Phosphorescent C∧C* Cyclometalated Thiazol-2-ylidene Iridium(III) Complexes: Synthesis, Structure, and Photophysics

Phosphorescent C∧C* Cyclometalated Thiazol-2-ylidene Iridium(III) Complexes: Synthesis, Structure, and Photophysics
Ivana Císařová, Hendrik Leopold, Thomas Strassner
The synthesis and characterization of the first cyclometalated arylthiazole-based iridium(III) phosphorescent emitters of the general structure IrL2(acac) with L = 3-(4-bromophenyl)-4,5-dimethyl-1,3-thiazol-2-ylidene and 3-(4-methylphenyl)-4,5-dimethyl-1,3-thiazol-2-ylidene and acac = acetylacetonato is presented. All complexes were isolated isomerically pure and were unambiguously assigned by a solid-state structure, DFT calculations, and 2D NMR studies. Investigation of their emission behavior revealed emission maxima at 495 ± 5 nm. Quantum chemical calculations were used to calculate the energy differences between the possible isomers and to understand the emission behavior.

Publisher URL: http://dx.doi.org/10.1021/acs.organomet.7b00421

DOI: 10.1021/acs.organomet.7b00421

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