Fourier transform spectra and inverted torsional structure for a CH<sub>3</sub>-bending fundamental of CH<sub>3</sub>OH
Bibliographic record
Abstract
The high-resolution Fourier transform spectrum of CH 3 OH has been investigated in the 14001650 cm 1 CH 3 -bending region, and perpendicular Δ K = 1 subbands forming a consistent pattern have been identified with origins from 1490 to 1570 cm 1 . The location of the subbands as the only significant spectral features towards the upper edge of the CH 3 -bending absorption favours their assignment to the ν 4 in-plane A' asymmetric CH 3 -bending mode. The upper state term values have been fitted to J(J + 1) power-series expansions to obtain substate origins and effective B-values. The origins exhibit a linear K-dependence as well as the normal variation with K 2 . The mean effective B-value of 0.82 cm 1 is higher than that of the ground state, consistent with a bending vibration. The pattern of K-reduced torsionvibration energies is anomalous. It appears to be inverted relative to the customary picture for n = 0 torsional levels, in agreement with a recent prediction, but has unusual periodicity significantly different from the ground state. A simple Fourier cosine series model for the energy curves gives a vibrational band origin of 1477.6 cm 1 for this CH 3 -bending mode, close to the best current calculated value for ν 4 . PACS Nos.: 33.20E, 33.80B
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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 | 0.001 | 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) | 0.008 | 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".