Selective Chirality-Driven Photopolymerization of Diacetylene Crystals
Bibliographic record
Abstract
Crystal engineering of two diacetylene monomers was achieved by branching two chiral groups [R = PhC*MeNH(CO 2 )CH 2 ] exhibiting an enantiopure configuration of S, S -( DA2 ) and an achiral R, S - meso -isomer ( DA4 ). The X-ray structures of DA2 and DA4 reveal the presence of supramolecular arrangements driven by intermolecular H-bonding. A significant intermolecular closer proximity in DA4 than that in DA2 is depicted, ultimately resulting in a slow thermal (days) and swift (min) photochemical polymerization of DA4 to form PDA5, whereas DA2 is unreactive. DFT computations indicate that in both cases the lowest energy-excited state is the charge-transfer state [CT; PhC*MeNH(CO 2 ) → π*(−C≡C–C≡C−)]. Therefore, this outcome illustrates a drastic selectivity via a settle change in a carbon configuration. Analysis demonstrates that PDA5 is nonemissive and that its coloration arises from a π → π* excitation of the polymer backbone (DFT computations).
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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) | 0.002 | 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 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".