Solvent and Steric Influences on Rotational Dynamics in Porphyrinic Metal–Organic Frameworks with Mechanically Interlocked Pillars
Bibliographic record
Abstract
Zinc(II) metal–organic framework (MOF) materials were prepared using a porphyrin-based tetracarboxylate linker and pyridine-terminated [2]rotaxane linkers as pillars. Two pillaring rotaxanes (R = H or CH 3 at pyridine 2-position) were used to create two MOFs α-UWDM-6 and α-UWDM-7, and their structures were determined by single-crystal X-ray diffraction. Both MOFs undergo reversible phase transitions upon solvent removal to generate γ-UWDM-6 and β-UWDM-7 . The dynamics of the 24-membered macrocycle ([24]crown-6) inside each MOF phase was studied using variable-temperature 2 H solid-state NMR spectroscopy. Interestingly, only solvated α-UWDM-7 demonstrates unrestricted rotation of the macrocycle inside the MOF pores; studies on α-UWDM-7 with various solvents showed that the dynamics of the wheel is essentially independent of the solvent.
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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 | 0.000 | 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) | 0.001 | 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".