New Hypercoordinating Organostannanes for the Modular Functionalization of Mono‐ and Polystannanes: Synthetic and Computational Studies**
Bibliographic record
Abstract
Abstract A series of potentially hypercoordinate tin compounds derived from a substitutionally labile tosyl stannane ( 5 ) was produced to gain access to a library of propyloxybiphenyl ( 11 ), propylmethoxy ( 12 , 14 , 18 , 22 ) or propylthioester ( 13 , 15 , 19 , 23 ) stannanes for structure/property/polymerization investigations. Structural characterizations by single crystal X‐ray diffraction of 12 , 14 , 18 and 19 were also undertaken. The relative energies of hypercoordinate conformers for the propylmethoxystannanes 12 , 14 , 18 , and 22 were determined with DFT methods and the fractional abundance of conformers in the gas and solution (CHCl 3 ) phase were estimated. Relativistic DFT calculations of 119 Sn NMR chemical shifts were carried out for a series of non‐hypercoordinate reference compounds and the conformers, allowing the estimation of Boltzmann‐averaged chemical shifts of the hypercoordinate propylmethoxystannanes. A semi‐crystalline homopolymer ( 25 ) was isolated from the dehydropolymerization of 22 using Wilkinson's catalyst. Conversion of the liable tosylated polystannane ( 24 ) to a new partially substituted polystannane ( 28 ) via nucleophile displacement reactions was achieved.
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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) | 0.002 | 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 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".