Functionalization and cleavage of coordinated dinitrogen via hydroboration using primary and secondary boranes
Bibliographic record
Abstract
The reaction of the side-on, end-on ditantalum dinitrogen complex ([NPN]Ta) 2 (µ-η 1 :η 2 -N 2 )(µ-H) 2 (where NPN = PhP(CH 2 SiMe 2 NPh) 2 ) with a variety of secondary and primary boranes is reported. With 9-BBN, hydroboration of the Ta 2 N 2 unit occurs via B-H addition, which in turn triggers a cascade of reactions that result in NN bond cleavage, ancillary ligand rearrangement involving silicon group migration, and finally elimination of benzene from the N-Ph group and a B-H moiety to generate the imidenitride derivative. In the presence of excess 9-BBN, the Lewis acid base adduct of the imidenitride ([NPµN]Ta(=NBC 8 H 14 )(µ-NB(H)C 8 H 14 )Ta[NPN]) is formed. A similar set of reactions is observed for dicyclohexylborane (Cy 2 BH), which hydroborates the dinitrogen complex to generate [NPN]Ta(H)(µ-η 1 :η 2 -NNBCy 2 )(µ-H) 2 Ta[NPN], followed by loss of H 2 and silicon group migration to yield the imidenitride [NPµN]Ta(=NBCy 2 )(µ-N)(Ta[NPN]. With thexyl borane (H 2 BCMe 2 CHMe 2 ), a similar sequence of reactions is suggested starting with hydroboration to generate [NPN]Ta(H)(µ-η 1 :η 2 -NNB(H)C 6 H 13 )(µ-H) 2 Ta[NPN], followed by loss of H 2 and ancillary ligand rearrangement. When bis(pentafluorophenyl)borane (HB(C 6 F 5 ) 2 ) is used, no hydroboration of coordinated N 2 is observed, rather simple adduct formation to give ([NPN]Ta) 2 (µ-η 1 :η 2 -NN-B(H)(C 6 F 5 ) 2 )(µ-H) 2 occurs. Key words: dinitrogen, tantalum, hydroboration, NN bond cleavage.
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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) | 0.000 | 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 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".