An experimental and computational comparison of phosphorus- and selenium-based ligands for catalysis
Bibliographic record
Abstract
To compare and contrast the bonding and reactivity of organoselenium ligands with organophosphines in coordination complexes, a new palladium(II) complex of the Se,N-chelating ligand o-(NH2)(X)C6H4 (X = SePh, 2) was prepared. Its characterization by NMR spectroscopy, single-crystal X-ray diffraction, and density functional theory calculations is contrasted with the PdII complex of the related P,N- chelating ligand (X = PPh2, 1). These techniques indicate that the phenylseleno moiety is a weaker σ donor to the PdCl2 fragment than the diphenylphosphino group. Both complexes were suitable to catalyze the Suzuki–Miyaura coupling of p-tolylboronic acid and 4-bromobenzaldehyde.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.007 | 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".