The Effect of Aryl Substitution on the Properties of a Series of Highly Absorptive Cationic Iridium(III) Complexes Bearing Ancillary Bis(arylimino)acenaphthene Ligands
Bibliographic record
Abstract
Abstract A family of cationic heteroleptic iridium(III) complexes of the form [Ir(ppy) 2 (Ar‐BIAN)]PF 6 (ppyH = 2‐phenylpyridine) in which Ar‐BIAN [bis(arylimino)acenaphthene] acts as an ancillary ligand were synthesized and characterized. Their ground‐state electronic structures were probed by UV/Vis spectroscopy and cyclic voltammetry. The X‐ray structure of [Ir(ppy) 2 (4‐MeO 2 CPh‐BIAN)]PF 6 was solved. The first and second reduction wave potentials are strongly influenced by the substituent on the Ar‐BIAN ligand and follow a Hammett relationship. The absorption spectra for complexes incorporating an electron‐donating Ar‐BIAN ligand are noticeably redshifted, and absorption tails off past 800 nm. Notably, the absorption spectrum for [Ir(ppy) 2 (4‐NMe 2 Ph‐BIAN)]PF 6 shows an intense band centered at 576 nm, and it was assigned computationally to a mixed metal‐to‐ligand charge‐transfer/ligand‐to‐ligand charge‐transfer state.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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; a candidate call from one teacher head, not a consensus.
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".