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Unveiling Photodeactivation Pathways for a New Iridium(III) Cyclometalated Complex

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Escudero,  Daniel
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel,  Walter
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Escudero, D., Heuser, E., Meier, R. J., Schäferling, M., Thiel, W., & Holder, E. (2013). Unveiling Photodeactivation Pathways for a New Iridium(III) Cyclometalated Complex. Chemistry - A European Journal, 19(46), 15639-15644. doi:10.1002/chem.201301291.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0014-C99B-0
Abstract
We report the synthesis and characterization of a neutral heteroleptic IrIII complex bearing 6-fluoro-2-phenylbenzo[d]thiazole as cyclometalating ligand and (Z)-6-(9H-carbazol-9-yl)-5-hydroxy-2,2-dimethylhex-4-en-3-one as ancillary ligand. The photodeactivation mechanisms have been elucidated through extensive density functional theory (DFT) calculations. The active role of metal-centered (3MC) triplet excited states in the nonradiative deactivation pathways is, for first time, confirmed in such complexes.