Novel patterns of torsion-inversion-rotation energy levels in the ν11 asymmetric CH-stretch spectrum of methylamine
Bibliographic record
Abstract
The high-resolution infrared spectrum of methylamine (CH3NH2) has been recorded using slit-jet direct absorption spectroscopy in the ν11 CH-stretch region (2965-3005 cm(-1)) with a resolution of 0.0025 cm(-1). The 621 lines assigned by ground state combination differences represent 27 substates with |K(')| ≤ 2 for the A, B, E1, and E2 symmetries. The spectrum of CH3NH2 is complicated by torsion and inversion tunneling connecting six equivalent minima. The upper states K(') = 0, ± 1 for E1 and E2 are substantially perturbed by "dark" states. The result in the spectrum is multiplets of 2 or 3 states with mixed bright∕dark character. The analysis of the spectrum reveals two qualitative differences in the energy level pattern relative to the vibrational ground state and relative to available data on the lower frequency vibrations (NH2 wag and CN stretch). First at J(') = 0, there is a different ordering of the levels connected by torsion-inversion tunneling. Second, the low-J splittings indicative of torsion-rotation coupling are greatly reduced in the ν11 excited state relative to the vibrational ground state for both the E1 and E2 species, suggesting the partial suppression of torsional tunneling in the ν11 CH-stretch excited state.
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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) | 0.000 | 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".