Reactivity of Mn(I) Picolyl-NHC Complexes Toward H<sub>2</sub> and CO<sub>2</sub> Activation and the Catalytic Dehydrogenation of Formic Acid
Bibliographic record
Abstract
We report the synthesis and reactivity of [MnBr(HL)(CO) 3 ], 1 (where HL = 3,4,5-trimethyl-1-(2-picolyl)-imidazol-2-ylidene). The reaction of 1 with a base leads to the deprotonation of the methylene group of the ligand backbone and the formation of two isomeric dimers [MnL(CO) 3 ] 2, 2 and 2’ . The deprotonation of 1 under an H 2 atmosphere gives the hydrido complex [Mn(HL)(CO) 3 H], 3 . Alternatively, 3 can be obtained as the major product from the reaction of 1 with KHBEt 3 or the reaction of 2 and 2’ with H 2 . The reaction of 3 with carbon dioxide yields the O -bound formate complex [Mn(HL)(CO) 3 (OOCH)], 4, which can be converted back to 3 upon deprotonation under an H 2 atmosphere or heating under vacuum. Complexes 1, 3, and 4 show catalytic activity toward the dehydrogenation of formic acid.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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) | 0.000 | 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".