Interaction Modes Between SF<sub>4</sub> and Ketones; Study of Intermediates in Deoxofluorination Reactions
Bibliographic record
Abstract
Abstract Interactions between ketones and SF 4 are studied for the simplest ketone, acetone, and the bulky polycyclic 2‐adamantanone. Acetone forms the 1 : 2 adduct SF 4 ⋅ [O=C(CH 3 ) 2 ] 2, as well as the dimeric 1 : 1 adducts [SF 4 ⋅ O=C(CH 3 ) 2 ] 2 as identified by low‐temperature Raman spectroscopy and, for the latter, X‐ray crystallography. In both adducts, SF 4 acts as a double chalcogen‐bond donor to two keto groups. In contrast 2‐adamantanone does not form an isolable solid adduct with SF 4 ; in the presence of HF, however, it forms SF 4 ⋅ O=C 10 H 14 O ⋅ HF, which comprises chains with weak S—O and S—FH chalcogen bonds in the crystal structure. Sulfur tetrafluoride in this compound is readily lost at −85 °C, leading to the isolation of C 10 H 14 O ⋅ HF at low temperature. Density functional theory (DFT) calculations aid in vibrational assignments and serve to describe the interactions of the keto group with SF 4 and HF, as well as interactions between SF 4 with HF. It is found that separate and combined CO—HF and CO—SF 4 chalcogen bonds do not polarize the C=O group to any significant degree.
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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 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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".