Using NMR and ESI‐MS to Probe the Mechanism of Silane Dehydrocoupling Catalyzed by Wilkinson's Catalyst
Bibliographic record
Abstract
Abstract The reaction of Wilkinson's catalyst Rh(PPh 3 ) 3 Cl ( 1 ) with 1–2 equiv. of di‐ n ‐hexylsilane gives rise to a complex mixture of products, which has been analyzed by 31 P{ 1 H} NMR and shown to include the hydrido complex Rh(PPh 3 ) 3 H ( 3 ). Continuous sampling of the 1:1 reaction mixture by ESI‐MS provided time‐dependent speciation that tracks the formation of 3 at the expense of the initial silane oxidative addition product [Rh(PPh 3 ) 2 (Cl)(H){Si( n Hex) 2 H}] ( 2 ), the subsequent 1st order disappearance of 3 , and the formation of other, minor side‐products. Our results provide insight into established activity of 1 for catalytic dehydrocoupling of di‐ n ‐hexylsilane, and implicate complex 3 as the active species in this catalysis.
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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 | 0.001 | 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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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 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".