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Record W2956747216 · doi:10.1002/anie.201906600

Stabilization of [WF<sub>5</sub>]<sup>+</sup> by Bidentate N‐Donor Ligands

2019· article· en· W2956747216 on OpenAlexafffund
Douglas Turnbull, Stacey D. Wetmore, Michael Gerken

Bibliographic record

VenueAngewandte Chemie International Edition · 2019
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsUniversity of Lethbridge
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryDicationDenticityRaman spectroscopyFluorideCrystallographySpectroscopyNuclear magnetic resonance spectroscopyNatural bond orbitalTransition metalIonMetalInorganic chemistryMedicinal chemistryDensity functional theoryStereochemistryCatalysisCrystal structureComputational chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Transition‐metal hexafluorides do not exhibit fluoride‐ion donor properties in the absence of donor ligands. We report the first synthesis of donor‐stabilized [MF 5 ] + derived from a transition‐metal hexafluoride via fluoride‐ion abstraction using WF 6 (L) (L=2,2′‐bipy, 1,10‐phen) and SbF 5 (OSO) in SO 2 . The [WF 5 (L)][Sb 2 F 11 ] salts and [WF 5 (1,10‐phen)][SbF 6 ]⋅SO 2 have been characterized by X‐ray crystallography, Raman spectroscopy, and multinuclear NMR spectroscopy. The reaction of WF 6 (2,2′‐bipy) with an equimolar amount of SbF 5 (OSO) reveals an equilibrium between [WF 5 (2,2′‐bipy)] + and the [WF 4 (2,2′‐bipy) 2 ] 2+ dication, as determined by 19 F NMR spectroscopy. The geometries of the cations in the solid state are reproduced by gas‐phase geometry optimizations (DFT‐B3LYP), and NBO analyses reveal that the positive charges of the cations are stabilized primarily by compensatory σ‐electron donation from the N‐donor ligands.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
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 score0.012
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.005
GPT teacher head0.210
Teacher spread0.204 · 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; a candidate call from one teacher head, not a consensus.

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

Citations8
Published2019
Admission routes2
Has abstractyes

Explore more

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