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)]PF6 (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‐MeO2CPh‐BIAN)]PF6 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‐NMe2Ph‐BIAN)]PF6 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 machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| 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 | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".