Development of <i>N,N′</i>-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials
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Bibliographic record
Abstract
We applied concepts developed in the context of molecular recognition of aromatic rings in solution to design molecular tectons capable of generating molecular networks based on aromatic stacking in the crystalline phase. In this respect, N,N′ -diaromatic diimidazolium cations are interesting tectons because they offer electron-rich (aromatic) and electron-poor (imidazolium) rings able to develop aromatic stacking interactions. Two positive charges and six acidic protons divergently oriented on the diimidazolium dication are involved in strong electrostatic charge−charge interactions and H-bonding with anions. Incorporation of aromatic rings modifies the rigidity of these dications. Depending on the flexibility of the molecules, incorporation of water molecules in the crystal lattice is possible, and channels are created in the solid network.
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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 | 0.000 |
| 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) | 0.000 | 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 it