Geometric Isomers of Bipyridinium in Lead Halide Perovskitoids
Bibliographic record
Abstract
Organic–inorganic hybrid lead halides are explored enthusiastically in light of the versatility of their crystal structures. Here, we report lead halide crystals incorporating 2,2′-bipyridinium (bpy), where the various valence states of bpy depending on its degree of protonation influence the structure of inorganic sublattices. We synthesized [bpy + ]PbCl 3 and [bpy 2+ ] 3 Pb 3 Br 10 ·2Br, together with previously reported [bpy 2+ ] 2 Pb 3 I 10 . [bpy 2+ ] 3 Pb 3 Br 10 ·2Br and [bpy 2+ ] 2 Pb 3 I 10 incorporate trans -isomer divalent [bpy 2+ ], consistent with synthetic conditions in strong acids, while [bpy + ]PbCl 3 exhibits a preference toward cis -isomer monovalent [bpy + ]. They exhibit distinct Pb- X octahedral stacking patterns, i.e., chained or layered structures. Their bandgaps also depend on the halogen species and inorganic frameworks, while the intramolecular type II band alignment between the inorganic and organic sublattices contributes to the electronic structures in all cases, as suggested by theoretical calculations. This study emphasizes the importance of molecular structures in addition to halide components for crystal structure engineering in perovskitoids.
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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".