Multiple Modes of Motion: Realizing the Dynamics of CO Adsorbed in M‐MOF‐74 (M = Mg, Zn) by Using Solid‐State NMR Spectroscopy
Bibliographic record
Abstract
Abstract Metal–organic frameworks (MOFs) often exhibit high porosities and surface areas, making them ideal media for gas storage and carbon capture. MOF‐74 is an intriguing porous MOF featuring one‐dimensional honeycomb‐shaped channels and open metal sites, and is able to adsorb poisonous CO. Variable‐temperature (VT) 13 C solid‐state NMR (SSNMR) experiments focusing on 13 CO adsorbed within M‐MOF‐74 (M = Mg, Zn) are a sensitive probe of guest motion, revealing valuable details regarding the dynamics of adsorbed CO within the MOF channels. 13 C SSNMR experiments recorded at temperatures ranging from 153 to 373 K, along with accompanying simulations, unambiguously indicate that two types of dynamic CO motion are present in MOF‐74: a localized wobbling of CO on the open metal site, and a non‐localized hopping of CO molecules between adjacent open metal sites. The fine details of these motions, including the motional angles and rates, are revealed and discussed. The CO dynamics in MOF‐74 are then compared and contrasted with those of CO 2 , illustrating the similarities and differences in motion between the two types of guest molecules across the experimental temperature range.
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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 | 0.001 | 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 | 0.001 | 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 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".