Syntheses and Structures of F<sub>6</sub>XeNCCH<sub>3</sub> and F<sub>6</sub>Xe(NCCH<sub>3</sub>)<sub>2</sub>
Bibliographic record
Abstract
Abstract Acetonitrile and the potent oxidative fluorinating agent XeF 6 react at −40 °C in Freon‐114 to form the highly energetic, shock‐sensitive compounds F 6 XeNCCH 3 ( 1 ) and F 6 Xe(NCCH 3 ) 2 ⋅CH 3 CN ( 2 ⋅CH 3 CN). Their low‐temperature single‐crystal X‐ray structures show that the adducted XeF 6 molecules of these compounds are the most isolated XeF 6 moieties thus far encountered in the solid state and also provide the first examples of Xe VI N bonds. The geometry of the XeF 6 moiety in 1 is nearly identical to the calculated distorted octahedral ( C 3 v ) geometry of gas‐phase XeF 6 . The C 2 v geometry of the XeF 6 moiety in 2 resembles the transition state proposed to account for the fluxionality of gas‐phase XeF 6 . The energy‐minimized gas‐phase geometries and vibrational frequencies were calculated for 1 and 2 , and their respective binding energies with CH 3 CN were determined. The Raman spectra of 1 and 2 ⋅CH 3 CN were assigned by comparison with their calculated vibrational frequencies and intensities.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.003 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.002 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.003 | 0.003 |
| 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; both teacher heads agree on what is shown here.
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".