CO<sub>2</sub> Reduction at a Borane‐Modified Iron Complex: A Secondary Coordination Sphere Strategy
Bibliographic record
Abstract
Abstract This work addresses fundamental questions that deepen our understanding of secondary coordination sphere effects on carbon dioxide (CO 2 ) reduction using derivatized hydride analogues of the type, [Cp*Fe(diphosphine)H] (Cp* = C 5 Me 5 − ) – a well‐studied family of organometallic complex – as models. More precisely, we describe the general reactivity of [(Cp*‐BR 2 )Fe(diphosphine)H], which contains an intramolecularly positioned Lewis acid, and its cooperative reactivity with CO 2 . Control experiments underscore the critical nature of borane incorporation for transforming CO 2 to reduced products, a reaction that does not occur for unfunctionalized [Cp*Fe(diphosphine)H]. Additional experiments highlight relevance of borane hybridization and substituent effects. Mechanistic studies performed in the presence and absence of CO 2 emphasize the significance of carbonyl substrate to catalyst longevity. Lessons from these reactions were also transferable – with such borane‐containing complexes enabling the chemoselective reduction of aldehydes in the presence of alkenes. These findings provide valuable insights into metal‐ligand cooperative design strategies for carbonyl reduction and illustrate the versatility of intramolecularly positioned Lewis acids for otherwise challenging chemical transformations.
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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".