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Record W3013283859 · doi:10.1002/chem.202000826

Group 6 Oxyfluoro‐Anion Salts of [XeF<sub>5</sub>]<sup>+</sup> and [Xe<sub>2</sub>F<sub>11</sub>]<sup>+</sup>: Syntheses and Structures of [XeF<sub>5</sub>][M<sub>2</sub>O<sub>2</sub>F<sub>9</sub>] (M=Mo, W), [Xe<sub>2</sub>F<sub>11</sub>][M′OF<sub>5</sub>] (M′=Cr, Mo, W), [XeF<sub>5</sub>][HF<sub>2</sub>]⋅CrOF<sub>4</sub>, and [XeF<sub>5</sub>][WOF<sub>5</sub>]⋅XeOF<sub>4</sub>

2020· article· en· W3013283859 on OpenAlexaff
Mark R. Bortolus, Hélène P. A. Mercier, Gary J. Schrobilgen

Bibliographic record

VenueChemistry - A European Journal · 2020
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
Fundersnot available
KeywordsChemistryHydrogen fluorideFluorideCrystal structureIonSolventX-ray crystallographyHydrofluoric acidCrystallographyLewis acids and basesRaman spectroscopyInorganic chemistryPhysical chemistryOrganic chemistryDiffraction

Abstract

fetched live from OpenAlex

Abstract The reactions of the fluoride‐ion donor, XeF 6 , with the fluoride‐ion acceptors, M′OF 4 (M′=Cr, Mo, W), yield [XeF 5 ] + and [Xe 2 F 11 ] + salts of [M′OF 5 ] − and [M 2 O 2 F 9 ] − (M=Mo, W). Xenon hexafluoride and MOF 4 react in anhydrous hydrogen fluoride (aHF) to give equilibrium mixtures of [Xe 2 F 11 ] + , [XeF 5 ] + , [(HF) n F] − , [MOF 5 ] − , and [M 2 O 2 F 9 ] − from which the title salts were crystallized. The [XeF 5 ][CrOF 5 ] and [Xe 2 F 11 ][CrOF 5 ] salts could not be formed from mixtures of CrOF 4 and XeF 6 in aHF at low temperature (LT) owing to the low fluoride‐ion affinity of CrOF 4 , but yielded [XeF 5 ][HF 2 ]⋅CrOF 4 instead. In contrast, MoOF 4 and WOF 4 are sufficiently Lewis acidic to abstract F − ion from [(HF) n F] − in aHF to give the [MOF 5 ] − and [M 2 O 2 F 9 ] − salts of [XeF 5 ] + and [Xe 2 F 11 ] + . To circumvent [(HF) n F] − formation, [Xe 2 F 11 ][CrOF 5 ] was synthesized at LT in CF 2 ClCF 2 Cl solvent. The salts were characterized by LT Raman spectroscopy and LT single‐crystal X‐ray diffraction, which provided the first X‐ray crystal structure of the [CrOF 5 ] − anion and high‐precision geometric parameters for [MOF 5 ] − and [M 2 O 2 F 9 ] − . Hydrolysis of [Xe 2 F 11 ][WOF 5 ] by water contaminant in HF solvent yielded [XeF 5 ][WOF 5 ]⋅XeOF 4 . Quantum‐chemical calculations were carried out for M′OF 4 , [M′OF 5 ] − , [M′ 2 O 2 F 9 ] − , {[Xe 2 F 11 ][CrOF 5 ]} 2 , [Xe 2 F 11 ][MOF 5 ], and {[XeF 5 ][M 2 O 2 F 9 ]} 2 to obtain their gas‐phase geometries and vibrational frequencies to aid in their vibrational mode assignments and to assess chemical bonding.

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)0.021
metaresearch head score (Gemma)0.013
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, 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 score0.064
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0210.013
Meta-epidemiology (narrow)0.0360.040
Meta-epidemiology (broad)0.0320.018
Bibliometrics0.0130.023
Science and technology studies0.0160.020
Scholarly communication0.0120.015
Open science0.0240.018
Research integrity0.0210.042
Insufficient payload (model declined to judge)0.0000.004

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 head0.195
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

Citations17
Published2020
Admission routes1
Has abstractyes

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