Design, Synthesis, and Characterization of Functionalized Silepins: High Quantum Yield Blue Emitters
Bibliographic record
Abstract
The synthesis of a family of 1,1-dimethyldibenzo[ b, f ]silepin derivatives, substituted with donor groups of various donor strength and conjugation length in the positions meta or para to the silepin silicon, is presented. The compounds were characterized by NMR, UV−vis, and fluorescence spectroscopy, as well as with cyclic voltammetry and DFT computations. One of the meta series was characterized by X-ray crystallography. All compounds show red-shifts in onset absorption and emission maxima compared to the parent 1,1-dimethyldibenzo[ b, f ]silepin, but all exhibit blue fluorescence with quantum yields ranging from 0.46 to 0.93 for the meta series and from 0.09 to 0.46 for the para derivatives. The data suggest that, for the meta series, the primary absorption is of π−π* character, while in the para series, for strongly donating groups, transitions from low-lying π orbitals to the LUMO+1 orbital, which has contributions from the C−Si−C σ* orbitals, are charge-transfer in character. The phenyl-substituted derivatives can be converted to borepins via transmetalation with BBr 3, but other strategies are necessary to prepare borepins with other donor groups.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".