Selective Cobalt(II)–SNS Dithiolate Complex-Catalyzed Bifunctional Hydroboration of Aldehydes: Kinetics and Mechanistic Studies
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Bibliographic record
Abstract
Anionic ligands containing a nonbonded lone pair ( i.e., amido, thiolate) are well-known to cooperate with a metal center in bifunctional catalytic reactions. An NHC Co II (κ 3 -SNS) imine–dithiolate complex ( Co-3 ) effects the selective hydroboration of aldehydes (vs ketones) in 4–30 min at a 1 mol % loading in benzene (NHC = 2,5-dimethyl-3,4-dichloroimidazol-2-ylidene). Although the catalyst was unchanged in stoichiometric reactions with the aldehyde or borane, VTNA kinetic studies showed first-order rate dependence on the concentrations of Co-3, aldehyde, and pinacolborane as well as significant product inhibition. DFT studies confirmed a bifunctional transition state with B–H activation at the 5-membered ring thiolate donor being slightly favored over the 6-membered ring. Stable van der Waals complexes of Co-3 with both benzaldehyde and its hydroboration product were also identified, and catalyst reuse studies further confirmed product inhibition, especially with aromatic aldehydes. Reactivation of the unchanged catalyst was easily accomplished by product removal using hexane.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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) | 0.000 | 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 it