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Record W3017115110 · doi:10.1002/chem.202000424

Stabilisation of [WF<sub>5</sub>]<sup>+</sup> and WF<sub>5</sub> by Pyridine: Facile Access to [WF<sub>5</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>3</sub>]<sup>+</sup> and WF<sub>5</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>

2020· article· en· W3017115110 on OpenAlexafffund
Douglas Turnbull, Paul Hazendonk, Stacey D. Wetmore, Michael Gerken

Bibliographic record

VenueChemistry - A European Journal · 2020
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsUniversity of Lethbridge
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryAdductRaman spectroscopyComproportionationCrystallographySpectroscopyPyridineNuclear magnetic resonance spectroscopyLigand (biochemistry)StereochemistryMedicinal chemistryPhysical chemistry

Abstract

fetched live from OpenAlex

Abstract The enhanced reactivity of [WF 5 ] + over WF 6 has been exploited to access a neutral derivative of elusive WF 5 . The reaction of WF 6 (NC 5 H 5 ) 2 with [(CH 3 ) 3 Si(NC 5 H 5 )][O 3 SCF 3 ] in CH 2 Cl 2 results in quantitative formation of trigonal‐dodecahedral [WF 5 (NC 5 H 5 ) 3 ] + , which has been characterised as its [O 3 SCF 3 ] − salt by Raman spectroscopy in the solid state and variable‐temperature NMR spectroscopy in solution. The salt is susceptible to slow decomposition in solution at ambient temperature via dissociation of a pyridyl ligand, and the resultant [WF 5 (NC 5 H 5 ) 2 ] + is reduced to WF 5 (NC 5 H 5 ) 2 in the presence of excess C 5 H 5 N, as determined by 19 F NMR spectroscopy. Pentagonal‐bipyramidal WF 5 (NC 5 H 5 ) 2 was isolated and characterised by X‐ray crystallography and Raman spectroscopy in the solid state, representing the first unambiguously characterised WF 5 adduct, as well as the first heptacoordinate adduct of a transition‐metal pentafluoride. DFT‐B3LYP methods have been used to investigate the reduction of [WF 5 (NC 5 H 5 ) 2 ] + to WF 5 (NC 5 H 5 ) 2 , supporting a two‐electron reduction of W VI to W IV by nucleophilic attack and diprotonation of a pyridyl ligand in the presence of free C 5 H 5 N, followed by comproportionation to W V .

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)0.011
metaresearch head score (Gemma)0.007
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 score0.062
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0110.007
Meta-epidemiology (narrow)0.0170.019
Meta-epidemiology (broad)0.0140.008
Bibliometrics0.0040.012
Science and technology studies0.0090.007
Scholarly communication0.0090.009
Open science0.0140.010
Research integrity0.0090.024
Insufficient payload (model declined to judge)0.0010.004

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 head0.013
GPT teacher head0.206
Teacher spread0.193 · 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

Citations6
Published2020
Admission routes2
Has abstractyes

Explore more

Same venueChemistry - A European JournalSame topicInorganic Fluorides and Related CompoundsFrench-language works237,207