Flexible and porous 2D layered structures based on mixed-linker metal–organic frameworks for gas sorption studies
Bibliographic record
Abstract
Layered structures of flexible mixed-linker metal-organic frameworks termed IRHs-(4 and 5) (IRH = Institut de Recherche sur l'Hydrogène) were synthesized by mixing cyclam, tetrakis(4-carboxyphenyl)benzene (TCPB), and copper and zinc metal salts respectively. The new materials characterized by single-crystal X-ray diffraction exhibited the features of HOFs and MOFs. Their structures are formed by coordination and hydrogen bonds that link metallocyclam (with Cu or Zn) and TCPB to a 2D sheet which is further packed to form a 3D structure with 1D microchannels. Remarkably, the as-synthesized IRHs-(4 and 5) contain DMF in the channels that can be exchanged with DCM and afterward removed from the framework by heating without losing their single-crystallinity. This enabled an easy elucidation of the structural transformations by single-crystal and powder X-ray diffraction analyses. Experimental studies of single-component adsorption isotherms of pure CO2, CH4, and N2 gases have been carried out for all activated IRHs. Based on the obtained adsorption isotherms, theoretical calculations using Ideal Adsorbed Solution Theory (IAST) have been performed to predict the selectivity of equimolar CO2/CH4 and CO2/N2 (1 : 1) binary mixtures. The simulations predicted outstanding selectivity for CO2/N2 than for CO2/CH4 at low pressures, reaching 185 for IRH-4 and 130 for IRH-5 at 1 bar.
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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".