Spontaneous Ammonia Activation Through Coordination‐Induced Bond Weakening in Molybdenum Complexes of a Dianionic Pentadentate Ligand Platform**
Bibliographic record
Abstract
Abstract Ammonia oxidation catalyzed by molecular compounds is of current interest as a carbon‐free source of dihydrogen. Activation of N−H bonds through coordination to transition metal centers is a key reaction in this process. We report the substantial activation of ammonia via reaction with low‐valent molybdenum complexes of a diborate pentadentate ligand system. Spontaneous loss of dihydrogen from (B 2 Pz 4 Py)Mo II −NH 3 at room temperature to produce the dinuclear μ‐nitrido compound (B 2 Pz 4 Py)Mo‐N‐Mo(B 2 Pz 4 Py) is observed due to substantial N−H bond weakening upon coordination to Mo. Mechanistic details are supported through the experimental observation/characterization of terminal amido, imido and nitrido complexes and density functional theory computations. The generally under‐appreciated role of bridging nitrido intermediates is revealed and discussed, providing guidance for further catalyst development for this process.
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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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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".