Photobasicity-Triggered Twisted Intramolecular Charge Transfer of Push–Pull Chromophores
Bibliographic record
Abstract
Fluorogenic probes that undergo excited-state proton transfer (ESPT) and twisted intramolecular charge transfer (TICT) offer tunable fluorescence properties for bioimaging and sensing applications. However, the relationship between ESPT and TICT remains poorly understood in push-pull chromophores. Despite extensive research on photoacids, photobases remain underutilized as fluorescence modulators, and the roles of solvent polarity, acidity, and donor-acceptor strength in governing photobasicity and TICT activation are not well established. We conducted photophysical experiments and (TD)-DFT calculations to explore how protonation and solvent interactions influence fluorescence behavior. Our findings reveal that while protonation consistently induces red-shifted absorption and emission, ESPT efficiency and TICT formation vary widely depending on molecular structure and solvent environment. This work provides new insights into photobasicity-driven fluorescence modulation, offering a foundation for designing next-generation probes with enhanced sensitivity to local acidity, viscosity, and microenvironmental factors.
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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 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".