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Record W2062412769 · doi:10.1021/ic7010138

Syntheses, Solution Multi-NMR Characterization, and Reactivities of [C<sub>6</sub>F<sub>5</sub>Xe]<sup>+</sup> Salts of Weakly Coordinating Borate Anions, [BY<sub>4</sub>]<sup>-</sup> (Y = CF<sub>3</sub>, C<sub>6</sub>F<sub>5</sub>, CN, or OTeF<sub>5</sub>)

2007· article· en· W2062412769 on OpenAlex
Karsten Koppe, Vural Bilir, Hermann-J. Frohn, Hélène P. A. Mercier, Gary J. Schrobilgen

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueInorganic Chemistry · 2007
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
Fundersnot available
KeywordsChemistryNucleophileFluorine-19 NMRElectrophileSolventNMR spectra databaseFluorideNuclear magnetic resonance spectroscopyArylBoronMetathesisDecompositionInorganic chemistryMedicinal chemistryStereochemistrySpectral lineOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

New examples of [C6F5Xe]+ salts of the weakly coordinating anions [B(CF3)4]-, [B(C6F5)4]-, [B(CN)4]-, and [B(OTeF5)4]- have been synthesized by metathesis reactions of [C6F5Xe][BF4] with the corresponding MI[BY4] salts (MI = K or Cs; Y = CF3, C6F5, CN, or OTeF5). The salts were characterized in solution by multi-NMR spectroscopy. Their stabilities in prototypic solvents (CH3CN and CH2Cl2) and decomposition products are reported. The influence of the coordinating nature of [BY4]- on the decomposition rate of [C6F5Xe]+ as well as the presence of the weakly nucleophilic [BF4]- ion has been studied. The electrophilic pentafluorophenylation of C6H5F by [C6F5Xe][BY4] in solvents of different coordinating abilities (CH3CN and CH2Cl2) and the effects of stronger nucleophiles (fluoride and water) on the pentafluorophenylation process have been investigated. Simulations of the 19F and 129Xe NMR spectra of [C6F5Xe]+ have provided the complete set of aryl 19F-19F and 129Xe-19F coupling constants and their relative signs. The 19F NMR parameters of the [C6F5Xe]+ cation in the present series of salts are shown to reflect the relative degrees of cation-solvent interactions.

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.

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)0.004
metaresearch head score (Gemma)0.004
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Research integrity
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, 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 score0.021
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0040.004
Meta-epidemiology (narrow)0.0060.007
Meta-epidemiology (broad)0.0060.002
Bibliometrics0.0010.006
Science and technology studies0.0030.003
Scholarly communication0.0010.003
Open science0.0040.003
Research integrity0.0070.007
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 head0.009
GPT teacher head0.208
Teacher spread0.199 · 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