Low‐temperature Raman spectra of polycrystalline NH<sub>4</sub>F and ND<sub>4</sub>F
Bibliographic record
Abstract
Abstract Raman spectra of polycrystalline ammonium fluoride and fully deuterated ammonium fluoride were recorded at various temperatures between 80 and 300 K. The spectra were obtained using a cold stage attached to a Raman microscope. At low temperatures the Raman lines were sharper and shifted to higher wavenumbers compared with their room temperature counterparts. However, no indications of any crystalline phase change were observed at low temperatures. A strong line at 2876 cm −1 was assigned to the infrared inactive symmetric NH stretching mode ν 1 ( A 1 ). A very strong line at lower wavenumbers (2818 cm −1 ) was assigned to the antisymmetric stretching mode ν 3 ( F 2 ). Observed deuterium isotope shifts were in agreement with those calculated using the Redlich–Teller isotope product rule. The degenerate bending modes ν 2 ( E ) and ν 4 ( F 2 ) were observed in the Raman spectra of NH 4 F and ND 4 F for the first time. The ν 2 fundamental was split into doublets in the low‐temperature spectra, as predicted from a factor group analysis based on the known crystal structure. Three bands due to translational lattice modes were observed between 400 and 200 cm −1 in the spectra of both isotopic molecules. Several bands in both spectra are assigned to overtones and combinations involving an ammonium ion libration, but no bands directly attributable to ammonium ion librations were observed. Copyright © 2001 John Wiley & Sons, Ltd.
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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) | 0.001 | 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 | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.002 |
| 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".