Synthesis, characterization and chemistry of bis-(pentafluorophenyl)boryl ferrocene
Bibliographic record
Abstract
Bis-(pentafluorophenyl)boryl ferrocene, 1, was prepared via borylation of ferrocene with HB(C 6 F 5 ) 2 or via a transmetallation reaction involving FcHgCl and ClB(C 6 F 5 ) 2 in 8791% yield. The compound is characterized by a deep maroon colour. A significant intramolecular ironboron interaction is manifested in the solution spectroscopic (Fe [Formula: see text] B charge transfer band at ~230 nm, ε = 1.33 × 10 4 ) and solid-state crystallographic data (Fe-B = 2.924 Å) This interaction has an impact on the Lewis acidity of the boron center which, unlike the related compound B(C 6 F 5 ) 3 , does not strongly bind Lewis bases such as acetone, THF, or acetonitrile. However, an adduct between the stronger base PMe 3 and 1 forms readily and this complex (2) was fully characterized. The electron withdrawing -B(C 6 F 5 ) 2 group causes 1 to be oxidized at +450 mV relative to ferrocene. Oxidation of 1 with [NO][BF 4 ], AgOSO 2 CF 3 , or AgC 6 F 5 leads to the zwitterionic ferrocenium borates 3-F, 3-OTf, and 3-C 6 F 5 , respectively. Each of these compounds was characterized spectroscopically and via X-ray crystallography. The properties of these compounds relative to 1 suggest that oxidation of the iron center significantly enhances the Lewis acidity of the boron center. Due to the σ-donating ability of the borate substituents, zwitterions 3 are weaker oxidizing agents than unsubstituted ferrocenium salts.Key words: organoboranes, ferrocene derivatives, Lewis acids.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 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) | 0.011 | 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".