Acetonitrile Coupling at an Electron‐Rich Iridium Center Supported by a PCP Pincer Ligand
Bibliographic record
Abstract
Abstract Aryl amido iridium complexes supported by a tridentate phosphanyl–carbene–phosphanyl pincer ligand [(PC P)Ir–N(H)Ar, Ar = C 6 H 5 , 1a ; Ar = 2,6‐ i Pr 2 C 6 H 3 , 1b ] react with acetonitrile to afford the dimeric complex 2 , in which two (PC P)Ir fragments are bridged by a diiminato ligand derived from two molecules of CH 3 CN. Metrical parameters obtained from X‐ray structural determination of 2 confirm that the bridging ligand is a diiminato species rather than an enediamido moiety, which indicates that the reductive coupling is mediated by one electron per iridium center. Experiments suggest that the reaction proceeds by heterolytic cleavage of the Ir–N(H)Ar bond followed by one‐electron reduction of the resulting Ir I –NCCH 3 cation by the amido anion. The resulting anilino radical rapidly abstracts a hydrogen atom from the solvent. The reductive coupling of acetonitrile at a late transition metal center is unusual and in this instance occurs as a result of the highly σ‐donating, electron‐rich nature of the PC P ligand.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 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 | 0.001 |
| Insufficient payload (model declined to judge) | 0.083 | 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".