Vibrational spectra of arsenic triiodide: a lattice dynamics study
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Bibliographic record
Abstract
Abstract A simple force constant model is described and applied to the vibrations of the layered molecular crystal of arsenic triiodide. The model uses nine adjustable parameters (three intramolecular and six intermolecular) to calculate the wavenumbers of 14 optical normal modes, and good agreement with observed Raman and infrared data in both the lattice and internal mode regions was obtained. Estimates of the magnitudes of the various types of interatomic forces were derived. The most important is that between As and I atoms in adjacent layers and the next is that between As atoms in the same layer. The forces between I—As—I ‘sandwiches’ are primarily of the weaker van der Waals type, which accounts for the cleavage properties of this crystal. The principal intramolecular forces show appreciable decreases in magnitude, compared with those applicable to isolated molecules, interpreted as a charge‐transfer effect from intra‐ to intermolecular bonds. Copyright © 2003 John Wiley & Sons, Ltd.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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)
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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