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An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand

Abstract : A new family consisting of three luminescent neutral Ir(III) complexes with the unprecedented [Ir(C^N^C)(N^N)Cl] architecture, where C^N^C is a bis(six-membered) chelating tridentate tripod ligand derived from 2-benzhydrylpyridine (bnpy) and N^N is 4,4'-di-tert-butyl-2,2'-bipyridine (dtBubpy), is reported. X-ray crystallography reveals an unexpected and unusual double C-H bond activation of the two distal nonconjugated phenyl rings of the bnpy coupled with a very short Ir-Cl bond trans to the pyridine of the bnpy ligand. Depending on the substitution on the bnpy ligand, phosphorescence, ranging from yellow to red, is observed in dichloromethane solution. A combined study using density functional theory (DFT) and time-dependent DFT (TD-DFT) corroborates the mixed charge-transfer nature of the related excited states.
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Submitted on : Friday, November 10, 2017 - 11:22:21 AM
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Claus Hierlinger, Thierry Roisnel, David B. Cordes, Alexandra M. Z. Slawin, Denis Jacquemin, et al.. An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand. Inorganic Chemistry, American Chemical Society, 2017, 56 (9), pp.5182-5188. ⟨10.1021/acs.inorgchem.7b00328⟩. ⟨hal-01518042⟩

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