New vibrational assignments in the Ā <sup>1</sup> A <sub>u</sub> -[Xtilde] <sup>1</sup> Σ <sup>+</sup> <sub>g</sub> electronic transition of acetylene, C <sub>2</sub> H <sub>2</sub> : the v′ <sub>1</sub> frequency
Why this work is in the frame
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Bibliographic record
Abstract
New laser-induced fluorescence spectra of supersonic jet cooled acetylene (C2H2) in the wavelength region 230–205 nm have led to an improved understanding of the vibrational structure of the A 1Au state. Among the new bands observed are two weak perturbed bands at 46008 cm−1 and 46116 cm−1. Rotational analyses of these bands, together with the corresponding ‘hot’ bands arising from the ground state v4 fundamental, have shown that the upper states have asymmetric top K structure that is unaffected by a axis Coriolis coupling; this means that they do not involve overtones of the low frequency bending vibrations and therefore must be combinations of ag vibrational normal modes. From their positions in the manifold, their vibrational assignments can only be 22 031 0; and 11 0;31 0. These assignments lead to values of x 22, x13, and a revised value for the symmetric CH stretching frequency, ν1 = 2880.5cm−1; this revised value is 160cm−1 lower than the previously accepted value, but consistent with new ab initio calculations that we performed at the EOM-CCSD level using a TZ2P (triple-zeta plus double polarization) basis set.
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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) | 0.004 | 0.003 |
| Meta-epidemiology (broad) | 0.003 | 0.002 |
| Bibliometrics | 0.001 | 0.004 |
| Science and technology studies | 0.002 | 0.001 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.003 | 0.001 |
| Research integrity | 0.001 | 0.004 |
| 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 it