On the XeF<sup>+</sup>/H<sub>2</sub>O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF<sup>+</sup>
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Bibliographic record
Abstract
The reported synthesis of the H(2)OF(+) cation as a product of the oxidative fluorination of H(2)O by [XeF][PnF(6)] (Pn = As, Sb) in HF solution has been reinvestigated. The system exhibits complex equilibria, producing two new Xe(II) compounds, [Xe(3)OF(3)][PnF(6)] and [H(3)O][PnF(6)] x 2 XeF(2), refuting the original claim for the synthesis of the H(2)OF(+) cation. Both compounds have been isolated and characterized by vibrational spectroscopy and single-crystal X-ray diffraction. The X-ray crystal structures of the [Xe(3)OF(3)][PnF(6)] salts contain the Z-shaped FXeOXeFXeF(+) cation, which represents the first example of an isolated Xe(II) oxide fluoride. The crystal structure of the [H(3)O][AsF(6)] x 2 XeF(2) adduct contains XeF(2) molecules that interact with the H(3)O(+) cations. The vibrational assignments for the Xe(3)OF(3)(+) cation have been made with the aid of quantum-chemical calculations and were confirmed by (18)O-enrichment, and the assignments for [H(3)O][AsF(6)] x 2 XeF(2) were confirmed by (2)D- and (18)O-enrichment. Quantum-chemical calculations have also been carried out for H(3)O(+) x nXeF(2) (n = 1-4) and have been used to interpret the X-ray crystal structure and vibrational spectra of [H(3)O][AsF(6)] x 2 XeF(2). The energy-minimized geometries and vibrational frequencies for HOF and H(2)OF(+) have been calculated, further disproving the original report of the H(2)OF(+) cation. Both FXeOH and FXeOH(2)(+) have also been computed and are viable intermediates in the proposed equilibria between XeF(+) and H(2)O that lead to the Xe(3)OF(3)(+) cation.
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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 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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 it