Facile Fe-Based Hybrid Enables the Efficient Production of <i>N</i>-Oxyl Radical for the Aerobic Oxidation of Alkylarenes under Solvent-Free Conditions
Bibliographic record
Abstract
A facile Fe-based organic–inorganic hybrid material (BA-Mg 2 Fe) has been fabricated by using Mg 2 Fe layered double hydroxide (LDH) and benzoic acid (BA) as the precursors. The hybrid demonstrated significantly higher catalytic performance than the precursor in activating the N -hydroxyphthalimide molecule to the phthalimide N -oxyl species, predominantly by switching the hydrogen atom transfer to the proton-coupled electron transfer process. The enhancement of activity can be mainly attributed to the elevation of the positive charge of Fe 3+, which facilitates electron transfer, and the increased amount of the surface medium strong basic sites, which accelerates proton transfer. In addition, the hybrid BA-Mg 2 Fe catalyst coated with organic molecules had lower polarity and better compatibility with oxygen molecules and substrates compared to the precursor Mg 2 Fe-LDH. As a result, the conversion of ethylbenzene reached 74.8% with an excellent 96.1% selectivity of acetophenone in the aerobic oxidation of ethylbenzene under solvent-free conditions; the apparent activation energy ( E a ) decreased from 86.9 kJ/mol for Mg 2 Fe-LDH to 48.3 kJ/mol for BA-Mg 2 Fe, and the turnover frequency value boosted from 7.7 to 246.0 h –1 . The catalytic system also possesses the advantages of catalytical and structural stability, as well as tolerance of various substrates.
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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".