On the XeF<sup>+</sup>/H<sub>2</sub>O System: Synthesis and Characterization of the Xenon(II) Oxide Fluoride Cation, FXeOXeFXeF<sup>+</sup>
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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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".