Bibliographic record
Abstract
1H and 2H NMR spin-lattice relaxation times (T1) have been studied as a function of temperature to obtain activation energies for the threefold reorientations of CH3 groups (Ea = 22.83, 18.95, and 18.39 kJ mol1) and NH3 groups (Ea = 47.64, 45.31, and 28.74 kJ mol1) in the β-phases of ethylammonium chloride, -bromide, and -iodide, respectively, for comparison with barriers determined from Raman torsional frequencies. T1, 2H NMR lineshapes, and DSC studies have been used to clarify the existence of a β → α phase transition above room temperature in all three salts, and the absence of a transition at low temperature. 2H NMR lineshape analysis indicates a rapid n-fold (probably fourfold) reorientation of the whole molecule in the α-phase. This motion occurs about an axis in the molecular CCN mirror plane in the bromide and iodide. In the chloride, the axis is in the plane perpendicular to the bisector of the DCD bond angle.Key words: ethylammonium halides, solid state 1H and 2H NMR, molecular dynamics, rotational barriers, phase behaviour.
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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".