Rotationally Active Ligands: Dialing‐Up the Co‐conformations of a [2]Rotaxane for Metal Ion Binding
Bibliographic record
Abstract
Abstract A novel [2]rotaxane was constructed that has a bidentate N,N′‐chelate as part of a rigid, H‐shaped axle and a 24‐membered crown ether macrocycle containing six ether O‐atoms and an olefinic group as the wheel. This unique topology produces a ligand with the ability to dial‐up different donor sets for complexation to metal ions by simply rotating the wheel about the axle. The solution and solid‐state structures of the free ligand and complexes with Li + and Cu + show how the ligand adopts different rotational co‐conformations for each. The Li + ion uses the N,N′‐chelate and O‐donors while the Cu + center is coordinated to both O‐donors and the olefinic group. This concept of rotationally active ligands should be possible with a wide variety of donor sets and could find broad application in areas of coordination chemistry, such as catalysis and metal sequestration.
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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 | 0.000 |
| 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)
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".