[H(OXeF<sub>2</sub>)<sub><i>n</i></sub>][AsF<sub>6</sub>] and [FXe<sup>II</sup>(OXe<sup>IV</sup>F<sub>2</sub>)<sub><i>n</i></sub>][AsF<sub>6</sub>] (<i>n</i> = 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F<sub>3</sub>Xe---FH][Sb<sub>2</sub>F<sub>11</sub>] and [H<sub>5</sub>F<sub>4</sub>][SbF<sub>6</sub>]·2[F<sub>3</sub>Xe---FH][Sb<sub>2</sub>F<sub>11</sub>]
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
The xenon(IV) hydroxide fluoride and oxide fluoride salts, [H(OXeF2)n][AsF6] and [FXe(II)(OXe(IV)F2)n][AsF6] (n = 1, 2), have been synthesized as the natural abundance and the (18)O- and (2)H-enriched salts and structurally characterized by low-temperature Raman spectroscopy. Quantum-chemical calculations have been used to arrive at vibrational assignments. The experimental vibrational frequencies and isotopic shift trends are reproduced by the calculated gas-phase frequencies at several levels of theory. The cation chain is limited to one or two OXeF2 subunits, which are oxygen-bridged and strongly ion-paired with the AsF6(-) anion. The reaction of XeOF2·xHF with a superacidic HF/SbF5 solvent mixture yielded crystals of [H5F4][SbF6]·2[XeF3·HF][Sb2F11], [XeF3·HF][Sb2F11], and [XeF3][SbF6]. The XeF3(+) cations of each salt are very similar, displaying T-shaped primary coordination of xenon to three fluorine atoms (AX3E2 VSEPR arrangement) and a secondary contact to the fluorine atom of HF in [H5F4][SbF6]·2[XeF3·HF][Sb2F11] and [XeF3·HF][Sb2F11] or to a fluorine atom of SbF6(-) in [XeF3][SbF6]. The secondary coordination spheres of xenon in [H5F4][SbF6]·2[XeF3·HF][Sb2F11] and [XeF3·HF][Sb2F11] are similar; however, the F3Xe---FH(+) cation of the latter salt is disordered. An additional contact between the XeF3(+) cation and the SbF6(-) anion in [H5F4][SbF6]·2[XeF3·HF][Sb2F11] presumably alters the crystal packing sufficiently to give an ordered F3Xe---FH(+) cation, a rare example in which HF is coordinated to a noble gas. The latter compound also provides the first documentation of the H5F4(+) acidium ion, which forms a zigzag F4-chain terminated by SbF6(-) anions. Enthalpies and Gibbs free energies of reaction obtained from Born-Fajans-Haber thermochemical cycles support the proposed decomposition pathways.
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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 | 0.015 | 0.007 |
| Meta-epidemiology (narrow) | 0.023 | 0.022 |
| Meta-epidemiology (broad) | 0.025 | 0.017 |
| Bibliometrics | 0.006 | 0.018 |
| Science and technology studies | 0.013 | 0.026 |
| Scholarly communication | 0.007 | 0.011 |
| Open science | 0.017 | 0.014 |
| Research integrity | 0.014 | 0.029 |
| Insufficient payload (model declined to judge) | 0.000 | 0.001 |
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