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 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) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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".