Ferroelectric Liquid Crystals Induced by Atropisomeric Biphenyl Dopants: Dependence of the Polarization Power on the Nature of the Symmetry-Breaking Groups
Bibliographic record
Abstract
Four new chiral dopants containing an atropisomeric biphenyl core derived from 4,4‘-dihydroxy-2,2‘,6,6‘-tetramethylbiphenyl with different symmetry-breaking groups at the 3,3‘-positions (X = F, Cl, Br, and Me) were synthesized in optically active form. These dopants were used to induce ferroelectric SmC* liquid crystal phases in four SmC hosts with different core structures. Polarization powers δ p were measured as a function of the SmC host and compared to δ p values previously obtained for an analogous atropisomeric dopant with X = NO 2 . Theoretical conformational analyses for rotation of the atropisomeric cores about the C−O bonds of the ester groups linking the core to the side chains were performed at the B3LYP/6-31G(d) level and used in calculating Boltzmann-weighed statistical average transverse dipole moments 〈μ ⊥ 〉 for the core−diester units. The 〈μ ⊥ 〉 values were used to normalize δ p to study the influence of the symmetry-breaking groups X on the polar ordering of the dopants. Variations in δ p(norm) are rationalized by considering models describing either achiral or chiral distortions of the zigzag binding site model of the SmC host. Results show that the symmetry-breaking groups X exert a unique influence on polar ordering of the dopants in the phenylpyrimidine host PhP1 that is consistent with a model in which chirality transfer via core−core interactions between dopant and host molecules causes a chiral distortion of the zigzag binding site.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 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 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".