Syntheses, Characterization, and Computational Study of WSF<sub>4</sub> and WSF<sub>4</sub>·CH<sub>3</sub>CN
Bibliographic record
Abstract
A new and improved synthetic route to WSF(4) was developed from the reaction of WF(6) and Sb(2)S(3) in anhydrous HF. Tungsten sulfide tetrafluoride was characterized by Raman and (19)F NMR spectroscopy for the first time in HF solvent. Both studies provided evidence for its monomeric form in HF solution. In the solid state, WSF(4) was also characterized by Raman and infrared spectroscopy. The WSF(4) x CH(3)CN adduct was prepared from WSF(4) and CH(3)CN in anhydrous HF solvent and by the direct combination of WSF(4) with excess CH(3)CN, and was characterized by Raman and infrared spectroscopy in the solid state and (19)F NMR spectroscopy in CH(3)CN solution. The crystal structure of WSF(4) x CH(3)CN was obtained and showed that CH(3)CN coordinates to W in an end-on fashion and trans to the W-S bond. Quantum-chemical calculations using B3LYP and PBE1PBE methods were used to calculate the gas-phase geometries and vibrational frequencies of WSF(4) and WSF(4) x CH(3)CN.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 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".