Reactions of the Si−H Functionalized Silicon-Bridged [1]Ferrocenophane Fe(<i>η</i>-C<sub>5</sub>H<sub>4</sub>)<sub>2</sub>SiMeH with Dicobalt Octacarbonyl: Ring-Opening Metalization and the Synthesis of a Novel Sila[1]ferrocenophane with a Co(CO)<sub>4</sub> Substituent
Bibliographic record
Abstract
Reaction of Co 2 (CO) 8 with the Si−H-functionalized sila[1]ferrocenophane Fe( η -C 5 H 4 ) 2 SiMeH ( 1a ) was found to result in metalation of silicon and ring-opening of the ferrocenophane, affording the orange crystalline silylene-bridged dicobalt heptacarbonyl complex ( η -C 5 H 5 )Fe( η -C 5 H 4 )Si[μ-Co 2 (CO) 7 ](Me) 6 in 45% yield. The novel red, crystalline sila[1]ferrocenophane Fe( η -C 5 H 4 ) 2 Si[Co(CO) 4 ](Me) ( 8 ), the first with a direct Si−M bond, was isolated in 23% yield when the reaction between 1a and Co 2 (CO) 8 was conducted in NEt 3 as a proton trap. The dinuclear complex 6 and metalated silicon-bridged ferrocenophane 8 were each characterized by multinuclear NMR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction. [1]Ferrocenophanes Fe( η -C 5 H 4 ) 2 Si(Et)(H) ( 9 ) and Fe( η -C 5 H 4 ) 2 Si(Me)(D) ( 10 ) were prepared in order to investigate whether the ring-opening reaction that afforded 6 was an intramolecular or an intermolecular process. Mass spectral analysis of the products of the reaction of an equimolar mixture of 9 and 10 with Co 2 (CO) 8 showed only the presence of ( η -C 5 H 5 )Fe( η -C 5 H 4 )Si[μ-Co 2 (CO) 7 ](Et) ( 11 ) and ( η -C 5 H 4 D)Fe( η -C 5 H 4 )Si[μ-Co 2 (CO) 7 ](Me) ( 12 ); neither ( η -C 5 H 4 D)Fe( η -C 5 H 4 )Si[μ-Co 2 (CO) 7 ](Et) ( 11 ‘) nor ( η -C 5 H 5 )Fe( η -C 5 H 4 )Si[μ-Co 2 (CO) 7 ](Me) ( 12 ‘) were detected, which indicated that the ring-opening process was intramolecular. Compounds 11 and 12 were synthesized separately to provide comparative spectroscopic data for the mechanistic investigation.
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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".