Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid
Bibliographic record
Abstract
Two new metal−organic framework compounds were synthesized under solvothermal conditions using Zn 2+ ion, 1,2,4-triazole (TRZ), and 1,4- and 2,6-naphthalenedicarboxylic acids (NDC): Zn 4 (TRZ) 4 (1,4-NDC) 2 ·2DMF·2H 2 O ( 1 ) and Zn 4 (TRZ) 4 (2,6-NDC) 2 ·2DMF·4H 2 O ( 2 ). Their crystal structures were characterized by single-crystal X-ray diffraction. Structure 1 crystallizes in the P 2 1 / n space group with a = 13.609(2) Å, b = 27.181(5) Å, c = 13.617(3) Å, β = 92.46(1) °, V = 5032.4(16) Å 3, and Z = 4. Structure 2 crystallizes in orthorhombic Pna 2 1 space group with a = 30.978(6) Å, b = 12.620(3) Å, c = 13.339(3) Å, V = 5215(2) Å 3, and Z = 4. Both structures are analogues of the previously reported Zn 4 (TRZ) 4 (1,4-BDC) 2 ·16H 2 O where the layers of Zn−triazole moieties are pillared by aromatic dicarboxylates to create 3-D open frameworks. Nitrogen sorption studies revealed that these structures have Brunaer−Emmett−Teller (BET) surface areas of 362.1−584.1 m 2 /g. Hydrogen sorption experiments showed they can store 0.84−1.09 wt % of H 2 at 77 K and 1 atm. Although they do not contain large pores or surface areas, they possess the hydrogen sorption capacities comparable to those of highly porous metal−organic frameworks.
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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 | 0.000 | 0.001 |
| 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 | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 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 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".