Study of new ruthenium and iridium hydride complexes bearing N-heterocyclic carbenes as ligands
Bibliographic record
Abstract
New ruthenium and iridium hydride complexes bearing N-heterocyclic carbene ligands were prepared and their structure and reactivities were studied. RuH(SIMes)(PPh 3)2 (SIMes = 1,3-Bis-(2,4,6-trimethylphenyl)imidazolin-2-ylidene), RuH(IMes-H)(PPh3)2 (IMes = 1,3-Bis-(2,4,6-trimethylphenyl)imidazol-2-ylidene), and RuH2(ItBu)(PPh3) 2 (ItBu = 1,3-Bis-(tert-butyl)imidazol-2-ylidene) have been synthesized from RuHCl(PPh3)3. The complex RuH(IMes-H)(PPh3)2 shows interesting C-H bond activation through cyclometallation with the IMes ligand and formation of an η 2-benzylic bond. The NMR of RuH2(ItBu)(PPh 3)2 shows fluxionality through an agostic interaction with the ItBu ligand, confirmed by variable temperature studies. The complex IrH5(IMes)(PiPr 3) was synthesized and is the first reported polyhydride complex bearing an N-heterocyclic carbene ligand. The reactivity of RuH(IMes-H)(PPh3)2 was studied. Depending on conditions, reaction with carbon monoxide led to the formation of the two carbonyl complexes RuH(CO)(IMes-H)(PPh3)2 and Ru(CO)3(IMes)(PPh3). Reactivity with the slightly acidic phenol resulted in the formation of the novel complex RuH(IMes)(PPh 3)(C6H5O·C6H5OH) in which the phenol is bound to ruthenium in an η6-fashion.
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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".