Complete multinuclear solid‐state <scp>NMR</scp> of metal‐organic frameworks: The case of α‐Mg‐formate
Bibliographic record
Abstract
Abstract Metal‐organic frameworks (MOFs) are exciting porous materials with a growing number of applications ranging from catalysis to gas storage. Establishing logical connections between the local MOF structure and its properties is not often straightforward, however, solid‐state NMR is a sensitive probe of local structure and can be used to shed light on processes such as guest adsorption and gas motion within MOFs. As illustrated using our recent works on the microporous α‐Mg‐formate (Mg3(HCOO)6) MOF, complete multinuclear solid‐state NMR characterization of MOFs is now possible, and can provide unique insight that is not readily available through other methods. A wide variety of solid‐state NMR techniques have been employed, including direct‐excitation, cross‐polarization, fast magic‐angle spinning, and two‐dimensional experiments. New variable‐temperature 2H solid‐state NMR data of deuterated hydrogen gas within α‐Mg‐formate and the resulting detailed dynamic information is also presented, analyzed, and discussed.
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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 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".