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 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) | 0.005 | 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".