A Heterodimeric Cluster‐Based Pair Catalyst for Electrochemical Synthesis of Cyclohexanone Oxime
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Bibliographic record
Abstract
Abstract Heterogeneous catalysts are complex chemical ecosystems, where various functional units execute their individual responsibilities to together complete a catalysis ensemble. Here, we report a dinuclear catalyst originated from two molecular‐purity monomers including an atomically precise Ag 4 Pd 2 (SR) 8 cluster and a polyoxotitanium Ti 4 O 2 (TBC[4]) 2 ( i PrO) 4 cluster that are eventually paired off by the bridging sulfur. The heterodimeric catalyst with a unique interface consisted of the Ti─S─metal (metal = Pd and Ag) motifs exhibits selective recognition for nitrogen sources, thereby achieving high performances for the electrochemical synthesis of cyclohexanone oxime. The nitrate is favorably deoxygenated on the metal sites to generate nitrite, followed by the flipping of nitrite at the Ti─S─metal interface and the stepwise reduction of nitrite on the Ti site to produce hydroxylamine. Sequentially, a spontaneous coupling from hydroxylamine and cyclohexanone proceeds to construct the C═N bond for cyclohexanone oxime. Using this combination of distinct functional modules into one catalyst, we develop a strategy for heterogeneous catalysts being designed to increase the substrate conversion while simultaneously increasing the target product selectivity.
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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 | 0.000 |
| 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) | 0.000 | 0.000 |
Machine scores (provisional)
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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 it