Extending π-Conjugation of Triarylborons with a 2,2-Bpy Core: Impact of Donor−Acceptor Geometry on Luminescence, Anion Sensing, and Metal Ion Binding
Bibliographic record
Abstract
Four new 2,2'-bipyridine-based molecules functionalized by either BMes(2)-phenyl (Mes = mesityl) or NPh(2)-phenyl--5,5'-(p-BMes(2)-phenyl)(2)-2,2'-bpy (5,5'-BP2bpy, 1), 4,4'-(p-BMes(2)-phenyl)(2)-2,2'-bpy (4,4'-BP2bpy, 2), 4-(p-BMes(2)-phenyl)-4'-(p-NPh(2)-phenyl)-2,2'-bipy (4,4'-BPNPbpy, 4), and 4,4'-(p-NPh(2)-phenyl)(2)-2,2'-bpy (4,4'-NP2bpy, 5)--have been synthesized. Their complexes with PtPh(2) have been synthesized and fully characterized. The electronic and photophysical properties of the new molecules have been examined by electrochemical, absorption, and luminescence spectroscopic analysis and DFT calculations, which show significant differences from those of the related but smaller 2,2'-bpy derivatives functionalized directly by either BMes(2) or NPh(2) groups that we reported previously. Molecules 1, 2, and 4 and their Pt(II) complexes respond to fluoride ions in both absorption and emission modes. The donor-acceptor molecule 4 and its Pt(II) complex have a distinct fluorescence/phosphorescence turn-on response toward fluoride or cyanide ions. Molecules 1, 2, 4, and 5 also respond to Zn(II) ions in both absorption and emission modes. The diboryl molecules 1 and 2 have a distinct and contrasting fluorescence response toward Zn(II) ion--turn-off for 1 and turn-on for 2--demonstrating the significant impact of molecular geometry on metal ion binding and fluorescence.
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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 | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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".