Solvent Effects on the UV–vis Absorption and Emission of Optoelectronic Coumarins: a Comparison of Three Empirical Solvatochromic Models
Why this work is in the frame
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Bibliographic record
Abstract
Coumarins often function in the solution phase for a diverse range of optoelectronic applications. The associated solvent effects on the UV–vis absorption and/or fluorescence spectral shifts of coumarins need to be understood in order that their photochemistry can be controlled. To this end, three different empirical solvatochromic models are assessed against 13 coumarins. The two generalized solvent scales developed by Catalán and co-workers demonstrate comparable performance to the popular Taft–Kamlet solvatochromic comparison method. A combinatorial approach to determine the best-fit equations in all of the empirical models is applied; this involves both statistical best-fits and the physical validation of the resulting parameters, based on the molecular structures of solvents and solutes and their corresponding interactions. The findings of this approach are used to extract useful information about different aspects of solvent effects on the solvatochromism of coumarins.
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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) | 0.001 | 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 | 0.001 |
| 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 it