Cover Feature: Mechanistic Insights into Fe Catalyzed α‐C−H Oxidations of Tertiary Amines (ChemCatChem 1/2021)
Bibliographic record
Abstract
The Cover Feature shows cast iron catalysis: Trialkyl amines cooked with the right recipe will take the oxygen from water to form the corresponding trialkyl amide. This transformation is iron-catalyzed with a peroxyester acting as the oxidizing agent, picolinate as a ligand and pyridine as the solvent. In their Full Paper, C. J. Legacy et al. present mechanistic studies including initial rate kinetics, Eyring studies, kinetic isotope effects, a Hammett plot, reaction kinetic profile, oxidant probe study, EPR characterization of the iron site and DFT studies. Taken together, the data suggests a rate limiting step where an intramolecular α-C−H abstraction occurs on the amine bound to an Fe(IV)-oxo species. Tasty! More information can be found in the Full Paper by C. J. Legacy et al.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.137 | 0.039 |
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".