In 2015,Liao, Jia-Ling; Chi, Yun; Sie, Zong-Ting; Ku, Chia-Hao; Chang, Chih-Hao; Fox, Mark A.; Low, Paul J.; Tseng, Meu-Rurng; Lee, Gene-Hsiang published 《Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes》.Inorganic Chemistry published the findings.Recommanded Product: 20154-03-4 The information in the text is summarized as follows:
Three charge-neutral Ir(III) complexes bearing both neutral chelating ligands 4,4′-di-t-butyl-2,2′-bipyridine (dtbbpy) and monoanionic cyclometalated ligands derived from 2-phenylpyridine (ppyH), together with either 2 monoanionic ligands (i.e., chloride and monodentate pyrazolate) or a single dianionic chelate derived from 5,5′-di(trifluoromethyl)-3,3′-bipyrazole (bipzH2) or 5,5′-(1-methylethylidene)-bis-(3-trifluoromethyl-1H-pyrazole) (mepzH2), was successfully synthesized. These complexes are derived from a common, structurally characterized, Ir(III) intermediate complex [Ir(dtbbpy)(ppy)Cl2] (1), from treatment of IrCl3·3H2O with equal amount of the diimine (NN̂) and precursor of the cyclometalated (C^N) ligands in a form of 1-pot reaction. Treatment of 1 with various functional pyrazoles afforded [Ir(dtbbpy)(ppy)(pz)Cl] (2), [Ir(dtbbpy)(ppy)(bipz)] (3), and [Ir(dtbbpy)(ppy)(mepz)] (4), which display intense room-temperature emission with λmax spanning 532-593 nm in both fluid and solid states. The Ir(III) complexes, 3 and 4, showcase rare examples of 3 distinctive chelates (i.e., neutral, anionic, and dianionic) assembled around the central Ir(III) cation. Hybrid d. functional theory (DFT; B3LYP) electronic structure calculations on 1-4 reveal the LUMO to be π*(bpy) in character for all complexes and HOMO offering d(Ir)-π(phenyl) character for 1, 2, and 4 and π(bipz) character for 3. The different HOMO composition of 3 and 4 is also predicted by calculations using pure DFT (BLYP) and wave function (MP2) methods. From time-dependent DFT calculations, the emissive processes are dominated by the Ph group-to-bipyridine, ligand(ppy)-to-ligand(bpy) charge transfer admixed with metal-to-ligand transition for all Ir(III) complexes. Organic light emitting diodes were successfully fabricated. A double emitting layer design was adopted in the device architecture using Ir(III) metal complexes 3 and 4, attaining peak external quantum efficiencies, luminance efficiencies, and power efficiencies of 18.1% (59.0 cd/A and 38.6 lm/W) and 16.6% (53.3 cd/A and 33.5 lm/W), resp. The experimental process involved the reaction of 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Recommanded Product: 20154-03-4)
3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Recommanded Product: 20154-03-4
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics