Engineering crystals built from molecules containing boron
Bibliographic record
Abstract
Abstract The study of compounds containing boron continues to have an important impact on virtually every area of chemistry. One of the few areas in which compounds of boron have been neglected is crystal engineering, which seeks to develop and exploit an understanding of how the structure and properties of crystals are related to the individual atomic or molecular components. Although detailed predictions of crystal structures are not yet reliable, crystal engineers have developed a sound qualitative strategy for anticipating and controlling structural preferences. This strategy is based on the design of special molecules, called tectons, which feature carefully selected cores and multiple peripheral functional groups that can direct association and thereby place neighboring molecules in predetermined positions. Recent work has demonstrated that molecular crystals with unique properties can be constructed logically from tectons with boron in their cores or sticky sites of association. In particular, the -B(OH)2 group of boronic acids engages in reliable patterns of hydrogen bonding, and its use as a sticky site in tectons has emerged as an effective tool for controlling association predictably. In addition, replacement of tetraphenylsilyl or tetraphenylmethyl cores in tectons by tetraphenylborate leaves the overall molecular geometry little changed, but it has the profound effect of introducing charge. Tectons derived from tetraphenylborate can be used rationally to construct porous charged molecular networks that resemble zeolites and undergo selective ion exchange. In such ways, boron offers chemists exciting new ways to engineer molecular crystals with predetermined structures and properties.
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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 | 0.001 | 0.000 |
| Open science | 0.000 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 0.001 |
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".