η<sup>1</sup> versus η<sup>5</sup> Bonding Modes in Cp*Al(I) Adducts of 9-Borafluorenes
Bibliographic record
Abstract
The reactivity of highly Lewis acidic perfluorinated borafluorenes C 12 F 8 BR (R = C 6 F 5, 1a; CH 3, 1b ) and the nonfluorinated 9-phenyl-9-borafluorene ( 2 ) toward [Cp*Al] 4 was investigated. The reaction of 1 with [Cp*Al] 4 leads to the formation of thermally robust η 1 Lewis acid−base adducts 3a, b as the thermodynamically favored products. Use of the less Lewis acidic 2 does not alter the mode of reactivity, with the η 1 Lewis acid−base 4 formed preferentially. Reduction of 2 to the 9-boratafluorene 2 ·Li 2 (THF) n is readily accomplished in THF solution. However, reaction of 2 ·Li 2 (THF) n with [Cp*AlCl 2 ] 2 or Cp*AlCl 2 (THF), 5, affords aluminum metal, 2 ·THF, and Cp*H as the main identifiable products. Compounds 3a, 3b, 4, and 5 were fully characterized including their X-ray structures. A DFT computational study was conducted to probe the reason for the strong preference for η 1 bonding, which essentially stems from the localization of aromaticity in the flanking phenyl rings in the 9-borafluorene ring system.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| 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".