Abstract
The crystal structures of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phenyl-κ2 N,C 1}(picolinato-κ2 N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], 1, and bis-[2-(4-tert-butyl-pyridin-2-yl)-3,5-di-fluoro-phenyl-κ2 N,C 1](picolinato-κ2 N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], 2, are presented herein. These phospho-rescent cyclo-metallated iridium(III) compounds have been structurally investigated in order to better understand the nature of their blue-shifted emssions while maintaining high quantum yields. Compound 1 exhibits substantial twisting of the mesitylene rings out of the plane of the attached pyridine ring, with dihedral angles of 67.0 (1) and 78.7 (1)° between the best mean planes. For both compounds, the contribution of disordered solvent mol-ecule(s) was removed using the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.
Highlights
The crystal structures of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2yl]phenyl-2N,C 1}(picolinato-2N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], 1, and bis[2-(4-tert-butylpyridin-2-yl)-3,5-difluorophenyl-2N,C 1](picolinato2N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], 2, are presented
A recent study by another group has examined the attachment of alkyl or aryl groups to the pyridine ring of thepyridinate ligand in FIrpic (Kozhevnikov et al, 2013), resulting in enhanced quantum efficiency, while maintaining the sky-blue color of the parent complex
We report the crystal structures of bis{3,5-difluoro-2-[4(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-2N,C 1}(picolinato2N,O)iridium(III), 1, and bis[2-(4-tert-butylpyridin-2-yl)-3,5difluorophenyl-2N,C1](picolinato-2N,O)iridium(III), 2
Summary
Phosphorescent cyclometallated iridium(III) compounds have been investigated for a variety of applications, including solar cells (Kim et al, 2016), sensors (Marın-Suarez et al, 2012), bioimaging (Zhang et al, 2015), and scintillators (Bertrand et al, 2015). Their most widespread use stems from their electrophosphorescence and research in this area has focused on their use in organic light-emitting diodes (OLED) (Choy et al, 2014; Chi & Chou, 2010; Fu et al, 2011). The molecular structure of 2 has been reported previously (Laskar et al, 2006), the structure reported below is a new polymorph
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