CO<sub>2</sub>-Specific Gate Opening Transforms a Dense Cation-Filled Zinc-Aminotriazolato-Oxalate Framework into an Ultramicroporous MOF
Bibliographic record
Abstract
CALF-20, a zinc-triazolato-oxalate MOF, [Zn 2 (tz) 2 (Ox)]·solvent, is an industrially practiced ultramicroporous MOF sorbent. In CALF-20, some interesting structural transformations occur during its humid CO 2 capture. Even though its structure is simple, the design of superior sorbents based on its structure is still not straightforward. Hence, a broader investigation of these Zn-triazolato-oxalate frameworks with a new outlook is necessary. Herein, we report a Zn-aminotriazolato-oxalate MOF ( IISERP-MOF35, [(CH 3 ) 2 NH 2 ] 2 [Zn 5 (Atz) 4 (Ox) 4 ]·2H 2 O), which has a unique framework that does not resemble the ubiquitous layered-pillared topology prevalent among CALF-20 and related zinc-triazolato-oxalate systems. The IISERP-MOF35 ’s CO 2 -specific gate opening at lower partial pressures makes it intriguing. Comparing it to our earlier reported flexible Zn-aminotriazolato-oxalate MOF (IISERP-MOF32), [Zn 2 (Atz) 2 (Ox)]·solvent, which had a CALF-20-like layered-pillared topology, reveals valuable structure–property insights. Despite its markedly different structures and compositions, this new dense 3D framework has the same structural feature as that in the layered-pillared IISERP-MOF32, which is responsible for the gate opening. Further comparison with the existing frameworks in this system advocates that the structural motif identified here could help in the futuristic design of creating open frameworks predesigned for guest-assisted flexibility.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| 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".