Inner-Shell Excitation Spectroscopy of Fused-Ring Aromatic Molecules by Electron Energy Loss and X-ray Raman Techniques
Bibliographic record
Abstract
Oscillator strengths for C 1s excitation spectra of gaseous benzene, naphthalene, anthracene, phenanthracene, triphenylene, pyrene, and 1,2-benzanthracene have been derived from inner-shell electron energy loss spectroscopy recorded under scattering conditions where electric dipole transitions dominate (2.5 keV residual energy, θ ≤ 2° corresponding to a product of momentum transfer and C 1s orbital size ( qr ) of 0.08). These spectra are interpreted with the aid of ab initio calculations on selected species. They are compared to the C 1s spectra of solid samples of benzene, naphththalene, anthracene, triphenylene, and 1,2-benzanthracene, recorded with inelastic X-ray Raman scattering in the dipole limit ( qr < 0.5). When differences in resolution are taken into account, good agreement is found between the inelastic electron scattering spectra of the gases and the inelastic photon scattering spectra of the corresponding solid. Small differences are attributed to quenching of transitions to Rydberg states in the solids. Characteristic differences related to the degree of symmetry or spatial arrangement of the fused ring aromatic hydrocarbons (e.g., linear versus bent structures) indicate that C 1s X-ray Raman spectroscopy should be useful for characterizing aromatics in bulk samples that are opaque to soft X-rays, such as coals and heavy hydrocarbon deposits.
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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".