Reflection Absorption Infrared Spectra of Thin Solid Films. Molecular Orientation and Film Structure
Bibliographic record
Abstract
The calculated and observed vibrational spectra of a new series of perylene tetracarboxylic derivatives (PTCDs) with different alkyl lateral chain lengths (5, 10, 15, and 20 C) are reported. With the use of characteristic vibrational modes, the question about the degree of molecular organization and packing in these PTCD evaporated films has been resolved by using transmission and reflection-absorption infrared spectroscopy (RAIRS) techniques. From vibrational analysis, it was extracted that the molecules are preferentially oriented with the PTCD moiety head on the surface substrate. The molecular organization detected (by using RAIRS) in the evaporated films is not changed when the films are exposed to different solvents, such as water, methanol, and propanol, or when they are annealed up to 155 °C under normal atmospheric conditions or in vacuum. Evidence of molecular packing in the evaporated films is also provided by the observation of strong excimer emission.
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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) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.006 | 0.001 |
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".