Iridium, Tris[2-(2-pyridinyl-κ<i>N</i>)phenyl-κ<i>C</i>]-, (OC-6-22)-iridium
Bibliographic record
Abstract
[94928-86-6] C33H24IrN3 (MW: 654.78) InChI = 1S/3C11H8N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H; InChIKey = QKBWDYLFYVXTGE-UHFFFAOYSA-N (photosensitizer, photoredox catalysis, OLED, triplet-state luminescence) Alternative Names: Ir(ppy)3, tris[2-phenylpyridinato-C2,N]iridium(III). Physical Data: UV (ϵ [×103 M−1cm−1]) in DCM = 283 (4.9), 380 (4.1), 405 (4.0), 455 (3.5), 490 (3.1)1, 2; λem = 516 nm in DCM; E1/2 Red = (2.77 V; E1/2 Ox 0.26 V (in THF or DCM, respectively, Ref. vs. ferrocene)3; E1/2 Red = (1.73 V vs. SCE4; mp 328 °C. Solubility: acetonitrile, dichloromethane, THF, ethyl acetate, toluene, and DMF. Form Supplied in: commercially available. Complex is a yellow solid. Preparation Methods: prepared from the reaction of Ir(acac)3 with 3 equiv of H–ppy in degassed glycerol at reflux for 10 h, followed by precipitation with 1 M HCl (eq 1).5 Alternatively, reaction of cis-[Ir(ppy)2(H2O)2]OTf6 and 2-(2-boronic acid phenyl)pyridine under basic conditions at room temperature has been reported 7 (1) NMR data in the literature reports the 1H NMR spectra for the title compound in CD2Cl2 as showing eight chemical shifts in the range of 6.7–8.0 ppm, and the 13C NMR spectrum showing 11 resonances, 3 of which remain unsplit in SFORD measurements.8 Purification: silica gel chromatography in DCM to remove dark colored impurities.9 Handling, Storage, and Precaution: store under inert atmosphere in the dark (sensitive to light). Keep away from oxidizing agents. Upon visible light excitation of Ir(ppy)3 (ppy = 2-phenyl pyridine), the resulting metal-to-ligand charge transfer (MLCT) excited-state species [Ir(ppy)3]* is a strong single-electron reductant and can be quenched with an acceptor to form [Ir(ppy)3+]. The oxidized species can be reduced back by an electron donor to regenerate the photocatalyst (eq 2). (2) The complex is also used as an organic light-emitting diode (OLED)10-14 and an oxygen sensor.15, 16
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.007 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.002 | 0.001 |
| Insufficient payload (model declined to judge) | 0.015 | 0.001 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; both teacher heads agree on what is shown here.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".