Reactivity and Electronic Properties of a Ferrocene Molecule Bearing an N,C-Chelated BMes<sub>2</sub> Unit
Bibliographic record
Abstract
A dimesitylboron-functionalized benzimidazolylferrocene, B(2-ferrocenyl- N -Me-benzimidazolyl)Mes 2 ( 1 ), has been synthesized and fully characterized. The B–N bond in 1 was found to undergo a dynamic dissociation/association process in solution, leading to a dynamic exchange of the two mesityls bound to the boron atom and slow hydrolysis of 1 under ambient conditions. The hydrolyzed product 2-BMes(OH)-1-( N -methylbenzimidazol-2-yl)ferrocene ( 2 ) was isolated and characterized, in which the boron center has a trigonal-planar geometry with one of the mesityls being replaced by an OH – group. The photoisomerization process of the boron unit in 1 was fully inhibited by the low lying d–d/MLCT states of the ferrocene unit. Compound 1 can be oxidized readily by I 2, forming the ferrocenium species [1 + ]I 3 - ( 3 ). NMR and EPR data for 3 indicated a notable spin delocalization through space from the Fe(III) center to a flanking mesityl group.
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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) | 0.001 | 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".