A Shape‐Adaptable Organometallic Supramolecular Coordination Cage for the Encapsulation of Fullerenes
Bibliographic record
Abstract
Abstract The development of three‐dimensional supramolecular coordination complexes (SCCs), with cavities suitable for guest binding, is of great interest because these materials are useful in a large number of applications. Herein, a nickel‐conjoined organometallic molecular prism is described, which has been fully characterized. The X‐ray diffraction structure of the molecule reveals that the cage possesses an internal cavity with a volume of 1028 Å3, thus suitable for the encapsulation of large 3D‐molecules, such as fullerenes. This cage shows highly selective complexation of C70 over C60, thus being potentially useful for fullerene separation and purification. The combined experimental and computational studies suggest that the complexation process is largely entropically‐driven, and DFT calculations suggest that the cage is flexible and can adapt the size and the shape of the cavity to maximize the face‐to‐face interaction with the fullerenes.
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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".