Non-alternant-hydrocarbon-based conjugated phosphole oxides
Bibliographic record
Abstract
The synthesis and characterization of two species of a new family of ring-fused phosphole oxides that feature azulene as a key component is reported. Azulene is known for inducing distinct photophysics to conjugated materials due to its inherently polar nature, and this structure-property study reveals its impact on fused phosphole-containing species for the first time. Both new species feature four fused rings in their π-conjugated scaffold that only differ in one terminal ring (i.e., pyridine vs. thiophene). The pyridine-terminated species can be further modified via N-methylation leading to an overall cationic scaffold. Supporting computational studies provide details on the frontier molecular orbitals, polarities, and the ring currents within the scaffolds. All compounds are deeply blue or purple colored, because of the polar nature of the azulene building block with absorptions between ∼300 and 700 nm in their UV–vis spectra. Moreover, they show largely (quasi)reversible reduction features between −0.5 and −2.0 V (vs. Ag/AgCl), as determined via cyclic voltammetry, a hallmark of phosphole-oxide containing conjugated materials. This study thus supports the successful marriage of key functional properties of azulene and phosphole-based conjugated materials.
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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".