N<sub>2</sub> Dissociation vs Reversible 1,2-Methyl Migration in PC<sub>NHC</sub>P Cobalt(I) Complexes in the Stereoselective Isomerization (<i>E/Z</i>) of Allyl Ethers
Bibliographic record
Abstract
High Resolution Image Download MS PowerPoint Slide With growing efforts pushing toward sustainable catalysis, using earth-abundant metals has become increasingly important. Here, we present the first examples of cobalt PC NHC P pincer complexes that demonstrate dual stereoselectivity for allyl ether isomerization. While the cationic cobalt complex [((PC NHC P)Co) 2 -μ-N 2 ][BAr 4 F ] 2 ( 3 ) mainly favors the Z -isomer of the enol ether, the corresponding methyl complex [(PC NHC P)CoMe] ( 4 ) mostly gives the E -isomer. The dichotomy in selectivity was investigated computationally, revealing important contributions from the substituents on the metal (N 2 vs Me), including a 1,2-alkyl migration from cobalt to the N-heterocyclic carbene (NHC) of the methyl substituent, which is further explored in this report.
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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) | 0.003 | 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".