ROTATIONAL AND INFRARED SPECTRA OF PYRIMIDINE: VIBRATIONAL GROUND STATE AND NINE VIBRATIONALLY EXCITED STATES
Bibliographic record
Abstract
Pyrimidine is an aromatic heterocycle in which meta C-H units of benzene are replaced by nitrogen atoms.Its detection in the ISM has been sought for decades as it is not only a building block of many biologically relevant molecules, but it could serve as a valuable tracer molecule for other aromatic and polycyclic aromatic compounds.In this work, we collected the millimeter-wave spectrum of pyrimidine from 130-750 GHz.This extended range greatly increases the range of rotational transitions we can observe in the ground and its nine lowest-energy vibrationally excited states.Over 10,000 transitions for the vibrational ground state have been least-squares fit to a A-and S-reduced sextic distorted-rotor Hamiltonians.To supplement the millimeter-wave spectrum, high-resolution infrared spectra were obtained from the Canadian Light Source and provide highly accurate and precise band origins for the vibrationally excited states.The three lowest energy fundamentals ( 16 , 11 , and 24 ) have been fit to single-state Hamiltonians.The remaining vibrationally excited states presented in this work have perturbed frequencies due to Coriolis, Darling-Dennison, and Fermi coupling.The current progress toward a satisfactory treatment of these interactions will be presented.
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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) | 0.003 | 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".