Divergent Synthesis and Crystal Engineering of Room‐Temperature Phosphorescent Carbonyl‐Bridged Triphenylamines
Bibliographic record
Abstract
Organic materials with room temperature phosphorescence (RTP) are a growing research topic, with recent investigations revealing a strong effect of the crystal packing on the RTP properties. However, these relationships are difficult to decipher, as the crystal packing affects both the intermolecular interactions and the molecular conformation. Here, we report a divergent synthetic strategy to generate a family of rigid carbonyl-bridged triphenylamine (TPA)-based chromophores via metal-free transformations of the same starting material, and exploit this family to investigate the effects of crystal packing on the solid state RTP properties. The minor bridge modifications lead the TPA derivatives to adopt three distinct crystal packing motifs: parallel columnar stacks, antiparallel zigzags, and nonparallel dimerized arrangements. Despite the nearly identical RTP spectra across the series, the proportion of phosphorescence in their emission and the RTP lifetimes are shown to differ as a result of the different crystal motifs. Computational investigations of dimer models of the solid state reveal that the interplay between fluorescence and triplet formation can be modelled by identifying the aggregate character of dimers in the crystal, but only if pairs in multiple dimensions of the crystal are considered.
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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 | 0.001 |
| 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".