Accessing the Pores and Unlocking Open Metal Sites in a Rare-Earth Cluster-Based Metal–Organic Framework
Bibliographic record
Abstract
While post-synthetic modification (PSM) of metal–organic frameworks (MOFs) through solvent assisted ligand incorporation (SALI) has been extensively studied, particularly in Zr6-based MOFs, this PSM approach is largely overlooked in the literature on rare-earth (RE) cluster-based MOFs. In this work, we explore SALI in Y-CU-45 (CU = Concordia University), a Y6-MOF analo-gous to Zr-MOF-808 with a 6-connected Y6-node. The structural connectivity of Y-CU-45 allows for the existence of six coordi-natively unsaturated sites per cluster. We previously demonstrated that these sites are capped by modulators used in the synthesis of Y-CU-45, which partially occlude the pores of the MOF. By performing SALI on Y-CU-45 with seven different ligands: for-mate, acetate, trifluoroacetate, pivalate, benzoate, 2,3,4,5-tetrafluorobenzoate, and 2,6-bis(trifluoromethyl)benzoate, we demon-strate trends relating the acidity of the incoming ligand to the SALI efficiency. Furthermore, we show that the pores of Y-CU-45 can be made more accessible while demonstrating the potential for open metal sites in this RE cluster-based MOF.
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.002 | 0.003 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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".