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Record W2969401192 · doi:10.1002/chem.201903135

Chromium Oxide Tetrafluoride and Its Reactions with Xenon Hexafluoride; the [XeF <sub>5</sub> ] <sup>+</sup> and [Xe <sub>2</sub> F <sub>11</sub> ] <sup>+</sup> Salts of the [Cr <sup>VI</sup> OF <sub>5</sub> ] <sup>−</sup> , [Cr <sup>V</sup> OF <sub>5</sub> ] <sup>2−</sup> , [Cr <sup>V</sup> <sub>2</sub> O <sub>2</sub> F <sub>8</sub> ] <sup>2−</sup> , and [Cr <sup>IV</sup> F <sub>6</sub> ] <sup>2−</sup> Anions

2019· article· en· W2969401192 on OpenAlexafffund
James T. Goettel, Mark R. Bortolus, Daniel Stuart, Hélène P. A. Mercier, Gary J. Schrobilgen

Bibliographic record

VenueChemistry - A European Journal · 2019
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryXenon difluorideHydrogen fluorideChromiumRaman spectroscopyX-ray crystallographyInorganic chemistryHydrofluoric acidXenonCrystallographyDiffraction

Abstract

fetched live from OpenAlex

Abstract Molten mixtures of XeF 6 and Cr VI OF 4 react by means of F 2 elimination to form [XeF 5 ][Xe 2 F 11 ][Cr V OF 5 ] ⋅ 2 Cr VI OF 4 , [XeF 5 ] 2 [Cr IV F 6 ] ⋅ 2 Cr VI OF 4 , [Xe 2 F 11 ] 2 [Cr IV F 6 ], and [XeF 5 ] 2 [Cr V 2 O 2 F 8 ], whereas their reactions in anhydrous hydrogen fluoride (aHF) and CFCl 3 /aHF yield [XeF 5 ] 2 [Cr V 2 O 2 F 8 ] ⋅ 2 HF and [XeF 5 ] 2 [Cr V 2 O 2 F 8 ] ⋅ 2 XeOF 4 . Other than [Xe 2 F 11 ][M VI OF 5 ] and [XeF 5 ][M VI 2 O 2 F 9 ] (M=Mo or W), these salts are the only Group 6 oxyfluoro‐anions known to stabilize noble‐gas cations. Their reaction pathways involve redox transformations that give [XeF 5 ] + and/or [Xe 2 F 11 ] + salts of the known [Cr V OF 5 ] 2− and [Cr IV F 6 ] 2− anions, and the novel [Cr V 2 O 2 F 8 ] 2− anion. A low‐temperature Raman spectroscopic study of an equimolar mixture of solid XeF 6 and CrOF 4 revealed that [Xe 2 F 11 ][Cr VI OF 5 ] is formed as a reaction intermediate. The salts were structurally characterized by LT single‐crystal X‐ray diffraction and LT Raman spectroscopy, and provide the first structural characterizations of the [Cr V OF 5 ] 2− and [Cr V 2 O 2 F 8 ] 2− anions, where [Cr V 2 O 2 F 8 ] 2− represents a new structural motif among the known oxyfluoro‐anions of Group 6. The X‐ray structures show that [XeF 5 ] + and [Xe 2 F 11 ] + form ion pairs with their respective anions by means of Xe‐ ‐ ‐F–Cr bridges. Quantum‐chemical calculations were carried out to obtain the energy‐minimized, gas‐phase geometries and the vibrational frequencies of the anions and their ion pairs and to aid in the assignments of their Raman spectra.

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)0.020
metaresearch head score (Gemma)0.009
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Open science, Research integrity, Insufficient payload (model declined to judge)
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 score0.053
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0200.009
Meta-epidemiology (narrow)0.0250.024
Meta-epidemiology (broad)0.0230.013
Bibliometrics0.0090.019
Science and technology studies0.0140.016
Scholarly communication0.0080.013
Open science0.0210.014
Research integrity0.0140.036
Insufficient payload (model declined to judge)0.0010.003

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 head0.008
GPT teacher head0.191
Teacher spread0.184 · 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

Citations12
Published2019
Admission routes2
Has abstractyes

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