Fourier transform spectroscopy of the OD-bending band of CH<sub>3</sub>OD
Bibliographic record
Abstract
The infrared Fourier transform spectrum of the OD-bending fundamental band of the CH 3 OD isotopologue of methanol has been investigated and analyzed in the 745–945 cm −1 region. The OD-bend is of hybrid a–b type, with predominantly parallel a-type character plus a small admixture of perpendicular b-type structure. The K-structure in the central Q-branch region is unusually well resolved and shows substantial shading to higher wavenumber. Sub-bands have been assigned for the v t = 0 ground torsional state from K = 0 to 13 for both A and E torsional species, as well as a number of sub-bands in the v t = 1, 2 excited torsional states. Upper-state term values have been determined from the observations and fitted to J(J + 1) power-series expansions to explore the torsion–K-rotation energy structure of the excited OD-bending state. A simple Fourier model for the energy structure gives a wavenumber of 863.246 cm −1 for the v t = 0 origin of the OD-bending band. The K = 0 torsional (E − A) splitting of 2.456 cm −1 found for the v t = 0 OD bend is 5.6% smaller than that of the ground state, and would correspond to a 9.9 cm −1 increase in the torsional barrier height, V 3 , to a value of approximately 376.2 cm −1 if other parameters do not change.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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".