Thermally Driven Dynamics of a Rotaxane Wheel about an Imidazolium Axle inside a Metal–Organic Framework
Why this work is in the frame
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Bibliographic record
Abstract
Abstract A new mechanically interlocked molecular linker was prepared by using ring‐closing metathesis (Grubbs I) to clip a [24]crown‐6 ether wheel around an axle containing both Y‐shaped diphenylimidazole and isophthalic acid groups. A metal–organic framework (MOF) material was prepared using this linker and Zn II ions. Single‐crystal X‐ray diffraction experiments showed that the MOF contains an imidazolium‐based rotaxane linked by dimeric [Zn 2 (NO 3 )(DEF)] secondary building units (SBUs). Variable‐temperature (VT), 2 H solid‐state NMR spectroscopy was used to characterize the motion of the “soft” wheel component around the rigid “hard” lattice of the framework. At higher temperatures (above 150 °C), it was demonstrated that the 24‐membered, macrocyclic ring of the MOF undergoes rapid, thermally driven rotation about the axle inside the voids of the lattice.
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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) | 0.001 | 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) | 0.006 | 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 it