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Record W3208300135 · doi:10.26434/chemrxiv.7215230.v1

Chromium Oxide Tetrafluoride and Its Reactions with Xenon Hexafluoride; the [XeF5]+ and [Xe2F11]+ Salts of the [Cr(VI)OF5]–, [Cr(IV)F6]2–, [Cr(V)OF5]2–, and [Cr(V)2O2F8]2– Anions

2018· preprint· en· W3208300135 on OpenAlexafffund
Daniel Stuart, Mark R. Bortolus, James Goettel, Hélène P. A. Mercier, Gary J. Schrobilgen

Bibliographic record

VenueChemRxiv · 2018
Typepreprint
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryHydrogen fluorideChromiumXenon difluorideAnhydrousTetrafluorideMolar ratioCrystal structureInorganic chemistryCrystallographyAnalytical Chemistry (journal)CatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

Molten mixtures of XeF 6 and Cr VI OF 4 in 1:1 and 1:2 molar ratios undergo reduction to Cr(V) and Cr(IV) by means of F 2 elimination to form [XeF 5 ][Xe 2 F 11 ][Cr V OF 5 ]∙2Cr VI OF 4 and [XeF 5 ] 2 [Cr IV F 6 ]∙2Cr VI OF 4 , respectively, as shown by low-temperature (LT) single-crystal X-ray diffraction (SCXRD). A LT Raman spectroscopic study of an equimolar mixture of solid XeF 6 and CrOF 4 and its melt showed that [Cr VI OF 5 ] – is formed as an intermediate. Reaction of [XeF 5 ] 2 [Cr IV F 6 ]∙2Cr VI OF 4 with XeF 6 in a melt gave [Xe 2 F 11 ] 2 [Cr IV F 6 ] and [XeF 5 ] 2 [Cr V 2 O 2 F 8 ]. Their LT crystal structures revealed that [XeF 5 ] + and [Xe 2 F 11 ] + are coordinated to their respective [CrF 6 ] 2− and [Cr 2 O 2 F 8 ] 2− anions by means of Xe---F–Cr bridges to form infinite chain structures. The reactions of a 1:1 molar ratio of XeF 6 and CrOF 4 in anhydrous hydrogen fluoride (aHF) and in mixed CFCl 3 /aHF solvents yielded [XeF 5 ] 2 [Cr V 2 O 2 F 8 ]∙2HF and a mixture of [XeF 5 ] 2 [Cr V 2 O 2 F 8 ]∙2HF and [XeF 5 ] 2 [Cr V 2 O 2 F 8 ]∙2XeOF 4 , respectively. The SCXRD structures of the latter and aforementioned salts provide the first X-ray structures of [CrOF 5 ] 2– and [Cr 2 O 2 F 8 ] 2– . The [XeF 5 ] 2 [Cr V 2 O 2 F 8 ]∙2XeOF 4 and [XeF 5 ][Xe 2 F 11 ][Cr V OF 5 ]∙2Cr VI OF 4 salts were also characterized by LT Raman spectroscopy. Quantum-chemical calculations were carried out to obtain the energy-minimized, gas-phase geometries and vibrational frequencies for [Cr VI OF 5 ] – , [XeF 5 ] 2 [Cr V 2 O 2 F 8 ]∙2XeOF 4 , [Cr V 2 O 2 F 8 ] 2– , [XeF 5 ][Xe 2 F 11 ][Cr V OF 5 ]∙2Cr VI OF 4 , [Cr V OF 5 ] 2– , and to aid in the assignments of their vibrational frequencies.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
Consensus categoriesMeta-epidemiology (narrow), 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 score0.041
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0010.002
Scholarly communication0.0000.000
Open science0.0010.002
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.010
GPT teacher head0.210
Teacher spread0.200 · 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".

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Citations0
Published2018
Admission routes2
Has abstractyes

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