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Record W3132016069 · doi:10.1002/anie.202102205

Syntheses and Characterizations of the Mixed Noble‐Gas Compounds, [FKr<sup>II</sup>FXe<sup>II</sup>F][AsF<sub>6</sub>]⋅0.5 Kr<sup>II</sup>F<sub>2</sub>⋅2 HF, ([Kr<sup>II</sup><sub>2</sub>F<sub>3</sub>][AsF<sub>6</sub>])<sub>2</sub>⋅Xe<sup>IV</sup>F<sub>4</sub>, and Xe<sup>IV</sup>F<sub>4</sub>⋅Kr<sup>II</sup>F<sub>2</sub>

2021· article· en· W3132016069 on OpenAlexafffund
Mark R. Bortolus, Hélène P. A. Mercier, Brianna Nguyen, Gary J. Schrobilgen

Bibliographic record

VenueAngewandte Chemie International Edition · 2021
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsRaman spectroscopyChemistryAnhydrousDecompositionCrystal structureNoble gasX-ray crystallographyHydrogen fluorideCrystallographySpectroscopySolventPhysical chemistryInorganic chemistryDiffractionOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Reaction of [XeF][AsF 6 ] with excess KrF 2 at −78 °C in anhydrous HF (aHF) solvent has yielded the first mixed Kr II /Xe II noble‐gas compound, [FKrFXeF][AsF 6 ] ⋅0.5 KrF 2 ⋅2 HF, a salt of the [FKrFXeF] + cation. The potent oxidative fluorinating properties of Kr II fluoride species resulted in oxidation of Xe II to Xe IV in aHF at −60 °C to form the mixed Kr II /Xe IV cocrystals, ([Kr 2 F 3 ][AsF 6 ]) 2 ⋅XeF 4 and XeF 4 ⋅KrF 2 . Further decomposition at 22 °C resulted in oxidation of Xe IV to Xe VI to give the recently reported Kr II /Xe VI complexes, [F 5 Xe(FKrF) n ][AsF 6 ] ( n =1, 2), [F 5 Xe][AsF 6 ], and a new Kr II /Xe VI complex, [(F 5 Xe) 2 (μ‐FKrF)(AsF 6 ) 2 ], which was characterized by low‐temperature (LT) Raman spectroscopy. The [FKrFXeF][AsF 6 ]⋅0.5 KrF 2 ⋅2 HF, ([Kr 2 F 3 ][AsF 6 ]) 2 ⋅XeF 4 , and XeF 4 ⋅KrF 2 compounds were characterized by LT Raman spectroscopy and single‐crystal X‐ray diffraction. Quantum‐chemical calculations were used to assess the bonding in [FKrFXeF] + , [Kr 2 F 3 ] + , and [Xe 2 F 3 ] + and to aid in their vibrational assignments.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.008
metaresearch head score (Gemma)0.008
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Open science, Research integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.038
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0080.008
Meta-epidemiology (narrow)0.0160.017
Meta-epidemiology (broad)0.0140.009
Bibliometrics0.0070.012
Science and technology studies0.0140.009
Scholarly communication0.0060.012
Open science0.0120.012
Research integrity0.0130.017
Insufficient payload (model declined to judge)0.0010.002

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.

Opus teacher head0.010
GPT teacher head0.207
Teacher spread0.197 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; both teacher heads agree on what is shown here.

Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations13
Published2021
Admission routes2
Has abstractyes

Explore more

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