Polycyclic Aromatic Hydrocarbons with Armchair Edges: Potential Emitters in Class B Sources
Bibliographic record
Abstract
We have systematically investigated a series of polycyclic aromatic hydrocarbons (PAHs) with armchair edges that maximize the aromaticity, denoted as Clar PAHs, using density functional theory. Their structures fall into three major categories: branched, intermediate, and armchair. Branched PAHs contain up to 60 carbons, they are eroded and the least stable, and their spectra are the most complex. Armchair PAHs are the most stable and their spectra differ from the nominal PAH spectra by lacking a 11.2 μ m band and having their 7.8 and 8.2 μ m bands coalesce as their size increases. Only intermediate and armchair PAHs have 12.7/13.5 μ m PAH band intensity ratios that are consistent with observations. The fitting results show that Clar PAH spectra are more consistent with class B than class A sources, with only a few small Clar PAHs contributing to the fit of the class A source IRAS 23133+6050 and large Clar PAHs contributing to the fit of the class B source IRAS 17347−3139, and NGC 7027. Overall, our study suggests that large Clar PAHs are potential emitters in class B sources.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 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".