Revisiting the 1,2,4-Triaza-3,5-diborolyl Ligand: σ and π Coordination Modes in the Alkali Metal and Rhodium Complexes of a Planar, 6-π-Electron B<sub>2</sub>N<sub>3</sub><sup>-</sup> Ring
Bibliographic record
Abstract
Lithium (2a), sodium (2b), and potassium (2c) salts of 1-methyl-3,5-diphenyl-4-methylamino-1,2,4-triaza-3,5-diborolyl were prepared by deprotonation of the ring nitrogen in neutral precursor 1. The alkali metal derivatives were characterized by multinuclear NMR, mass spectrometry, and single-crystal X-ray diffraction. The structural determinations revealed extended 2D structures for 2a and 2b and an extended 1D structure for 2c. All three solvent-free structures are dominated by sigma interactions, and pi interactions are also present for the potassium derivative. Addition of triphenylborane to 2a, 2b, and 2c produced the adducts 3a, 3b, and 3c, respectively, and these were characterized by multinuclear NMR and mass spectrometry. Structural determinations have been performed for the lithium and potassium salt, showing that Ph3B coordinates at the 2 position of the ring, whereas the alkali metal is coordinated by the pendant methylamino group. The lithium ion is additionally coordinated by three acetonitrile molecules in the monomeric structure of 3a, whereas the potassium ion is coordinated by three phenyl groups, forming the 1D polymeric structure of 3c. Reaction of 2a with [Rh(cod)Cl]2 yielded the dimeric 4, containing two 1,2,4-triaza-3,5-diborolyl rings bridging two Rh(cod) fragments through the substituent-free ring nitrogen atoms.
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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".