Investigation of some Rydberg states of ketene by two-photon resonance-enhanced multiphoton ionization spectroscopy
Bibliographic record
Abstract
Rydberg states of CH2CO and CD2CO in the 54 000–72 000 cm−1 spectral range have been reinvestigated using two-photon resonance-enhanced multiphoton-ionization spectroscopy. Improved resolution and sensitivity has allowed for identifications of more Rydberg states than in previous work. Based on an analysis of rotational structures and quantum defects and a comparison with the results of theoretical calculations, transitions to the 3pz, 4py, 4pz, and 5py, three components of 4d, and two components of 4f Rydberg states with a ground-state ionic core (X̃ 2B1) are identified. Several transitions have been reassigned. Vibrational wave numbers indicate that the geometry of the [X̃ 2B1]3py(1A2) state is almost identical to that of the corresponding cation in its ground electronic state, with C2v symmetry, whereas that of the [X̃ 2B1]3px(1A1) state differs significantly from those of the neutral molecule and the cation in their ground states, consistent with previous quantum chemical calculations that indicated that the [X̃ 2B1]3px(1A1) state has Cs symmetry. The energy ordering of the three components of the 3p Rydberg states is found to be 3px<3py<3pz, in agreement with a previous theoretical prediction using the equation-of-motion coupled-cluster singles and doubles polarized basis set methods and a first-principles vibronic model simulation. Excitations of the vibrational modes of b1 (e.g., C=C=O out-of-plane bending, CH2 or CD2 wagging) and b2 symmetries (e.g., C=C=O in-plane bending) are observed in several Rydberg states of CH2CO and CD2CO.
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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 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".