Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements
Bibliographic record
Abstract
The ability to control the solid-state structure of organic electronic materials can have a large effect on the quality of the devices to which they are applied. In this paper, we describe the use of π–π interactions to direct the crystal structure/solid-state arrangement of boron subphthalocyanine (BsubPc) derivatives by taking advantage of the π-electron-deficiency (π-acidity) of the BsubPc molecular fragment. First, we outline why BsubPc is a π-acid by looking at its chemical characteristics and the structure of crystals formed with other π-acidic moieties. Then we show how the solid-state arrangement of BsubPc can be purposefully altered by adding π-basic substituents. We found that adding a naphthoxy substituent provides an interaction that is strong enough to direct BsubPc into a novel solid-state arrangement made up of ribbons (or catemers) of molecules linked through π-stacking interactions between the naphthoxy and neighboring BsubPc molecular fragments. A similar effect was also seen when the naphthoxy fragment was added to the stronger π-acid perfluoro-BsubPc (F 12 BsubPc).
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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 | 0.000 |
| 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 | 0.001 | 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".