Selective Functionalization of a Variety of Hydrocarbon C(sp<sup>3</sup>)–H Bonds Initiated by Cp*W(NO)(CH<sub>2</sub>CMe<sub>3</sub>)(η<sup>3</sup>-CH<sub>2</sub>CHCHPh)
Bibliographic record
Abstract
Cp*W(NO)(CH 2 CMe 3 )(η 3 -CH 2 CHCHPh) ( 1 ) effects C(sp 3 )–H activations of methane, ethane, propane, and n -butane exclusively at their terminal carbons and forms the corresponding Cp*W(NO)(alkyl)(η 3 -CH 2 CHCHPh) complexes. It also activates ( n -Bu) 2 O, 1-chloropropane, and Me 4 Si in a similar manner. Exposure of the Cp*W(NO)(alkyl)(η 3 -CH 2 CHCHPh) complexes to carbon monoxide results in initial 1,1-CO insertion into the newly formed tungsten–alkyl bonds and formation of the corresponding η 1 -acyl complexes, some of which can be isolated. Additional functionalization of the C–H activation products occurs upon exposure to CO under more forcing conditions. Such treatment produces η 2 -bound unsaturated-ketone complexes resulting from CO insertion into the W–alkyl σ bonds followed by cross-coupling of the η 1 -acyl and the η 3 -allyl ligands and coordination of CO at the resulting vacant coordination site at tungsten. The unsaturated ketones can be released from the metal’s coordination spheres either by photolysis of the complexes in MeCN or by further exposure of them to CO. All new compounds have been characterized by conventional spectroscopic and analytical methods, and the solid-state molecular structures of six of them have been established by single-crystal X-ray crystallographic analyses.
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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) | 0.002 | 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".