Modulating the Favored Emissive State of Functionalized Phenoxazines in Both Solution and the Solid State
Bibliographic record
Abstract
In this contribution, a set of five differently substituted phenoxazines ( POA ) derived from a central terephthalonitrile core is investigated. Depending on incorporated electron‐donating groups ( ‐NH 2 , ‐NMe 2 , and ‐OMe ) or electron‐withdrawing groups ( ‐NO 2 and ‐CN ), distinctive luminescent behavior is observed, with preferred emission either in solution, in the solid‐state, or in both. An in‐depth assessment of the photophysical properties revealed a subtle influence of the substituents on the absorption and emission wavelengths, which correlate with the Hammett parameters, yet a strong sensitivity to the surrounding environment. Hence, solvatochromic response and aggregation studies were conducted to identify the optimal conditions for efficient emission. Absolute photoluminescence quantum yield values of up to 0.47 in tetrachloromethane and 0.33 in the solid state were determined, underscoring the impressive photophysical characteristics of the presented compounds. X‐ray diffractometric analyses in combination with Hirshfeld surface evaluation were employed to elucidate the packing effects and their possible relation to the photophysical performance. Finally, density functional theory calculations provided a detailed understanding of the occurring electronic transitions and spatial localization of the natural transition orbitals.
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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 | 0.001 | 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".