The Interaction Nature of Br-with 1-(4-Butylamino)-3-Methyl Imidazolium
Bibliographic record
Abstract
An ionic liquid (IL) interaction system of Br- with 1-(4-butylamino)-3-methyl imidazolium([Bamim]+) were investigated using B3LYP and MP2 methods at 6-311++G** level. Three possible stable geometry structures of this IL system were optimized. The energies of these three structures and ion-pair considering zero point energy (ZPE) and basis sets superposition energy (BSSE) correction were calculated. The results show that the interactions between ([Bamim]+) and Br- are mainly hydrogen bonds(H-bonds); the interaction energies between ion-pairs are larger than -350KJ/mol, which are far beyond those of H-bonds; the interaction nature of Br- with cation is studied based on natural bond orbital (NBO) calculation and the results show that the electrostatic attraction force plays a very important role in the interaction energy between ion-pair.
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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 | 0.000 |
| 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 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".