Rational Color Tuning and Luminescent Properties of Functionalized Boron‐Containing 2‐Pyridyl Pyrrolide Complexes
Why this work is in the frame
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Bibliographic record
Abstract
Abstract Three systematically functionalized pyrrolide ligands were prepared via the coupling of methyl vinyl ketone and the respective carbaldehyde reagents, followed by treatment of the pre‐formed dicarbonyl compounds with (NH 4 ) 2 CO 3 in order to generate the required pyrrole fragment. These ligands readily reacted with the boron reagent BPh 3 to afford the complexes [(pyro)BPh 2 ] ( 2a ), [(noro)BPh 2 ] ( 2b ), and [(xaro)BPh 2 ] ( 2c ), where (pyro)H, (noro)H, and (xaro)H represents the 2‐pyridyl, 2‐quinolinyl, and 2‐quinoxalinyl pyrrole groups, respectively. Complexes 2a – 2c give stable solutions in air, and show strong photoluminescence with emission peak maxima located at 490 nm, 510 nm, and 575 nm, respectively. Calculations based upon time‐dependent density function theory (TDDFT) show that the S 1 state in these complexes is attributed to an allowed (π‐symmetry) → π* (π‐symmetry) transition located at the chelating pyrrolide moieties. Electroluminescence (EL) devices based on 2c were fabricated. The EL emission from 2c as the host‐emitter, with the emission peak maximum shifted to 580 nm, was observed when BCP was used as the hole blocking material. This device produces saturated red‐orange light‐emission at an onset voltage of 8 V and a maximum brightness of 5000 cd m –2 at a driving voltage of 15 V; the external quantum yield is estimated to be 0.5 %.
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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 | 0.001 | 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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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