Unravelling the potential of sigma hole-assisted co-crystallization: Highlighting recent developments
Bibliographic record
Abstract
In the past several decades, the field of cocrystal engineering has developed into a vital research topic in supramolecular chemistry , holding the foremost scope in crystal engineering , medicinal chemistry , materials chemistry, and the pharmaceutical industry . The medium of cocrystallization has been through the classic non-covalent interactions. However, cocrystallization through sigma hole (σ-hole)-based modern interactions is a breakthrough in crystal engineering . This σ-hole mediated non-covalent interaction uniquely contributes to supramolecular chemistry through different subgroups viz halogen bonding (XB), chalcogen bonding (ChB), pnictogen bonding (PnB), and tetrel bonding (TB). Despite much potential, chalcogen bonding, pnictogen bonding, and tetrel bonding are yet at an infancy stage compared to halogen bonding. Hence, we attempted to address the great potential of these non-covalent interactions (intra- and inter-molecular) and enlighten the ChB, PnB, and TB, as their outstanding contribution to the supramolecular domain needs to be communicated. Through this account, we promote these cooperative σ-hole-based interaction synthons as attractive toolboxes in supramolecular chemistry by addressing the strength and directionality of σ-hole potential, the role of steric hindrance , different modes of characterizations, application in distinct fields, etc. We hope this work will be the medium of a new direction in advancing σ-hole-assisted interactions in different research areas. Also, chalcogen, pnictogen, and tetrel bonding could get out of the shadow of halogen bonding and get their recognition in supramolecular chemistry.
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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 | 0.000 | 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 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".