Correlating Redox and Photophysical Properties of Donor-Acceptor (aza)BODIPY-Based Dyads and Triads with Their Electronic Structures Toward a Rational Design of New Light-Harvesting Material
Bibliographic record
Abstract
Redox and photophysical properties of a large number of the BODIPY-, aza-BODIPY-, and BOPHY-based donor-acceptor dyads and triads (with representative examples given in Figure 1) have been investigated by the variety of steady-state and time-resolved spectroscopic methods. An influence of the catechol bridge between organic chromophore and the nanocarbon-based acceptor was studied in details and correlated with the electronic structures of new compounds investigated by the Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) methods. It was found that catechol bridge is quite efficient electron-donor, which hinders the photo-induced electron-transfer processes in dyads and triads. Fig. 1. Representative examples of BODIPY-, aza-BODIPY-, and BOPHY-based dyads and triads. Figure 1
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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".