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Record W2471152204 · doi:10.1021/acs.inorgchem.6b01112

Interactions between SF<sub>4</sub> and Fluoride: A Crystallographic Study of Solvolysis Products of SF<sub>4</sub>·Nitrogen-Base Adducts by HF

2016· article· en· W2471152204 on OpenAlexafffund
James T. Goettel, Nathan Kostiuk, Michael Gerken

Bibliographic record

VenueInorganic Chemistry · 2016
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsUniversity of Lethbridge
FundersCanada Foundation for InnovationNatural Sciences and Engineering Research Council of CanadaGovernment of Canada
KeywordsChemistryPyridiniumAdductProtonationFluorideRaman spectroscopySolvolysisNuclear magnetic resonance spectroscopyMedicinal chemistryCrystallographyStereochemistryIonInorganic chemistryOrganic chemistryHydrolysis

Abstract

fetched live from OpenAlex

Adducts between SF4 and a nitrogen base are easily solvolyzed by HF, yielding the protonated nitrogen base and fluoride. Salts resulting from the solvolysis of SF4·NC5H5, SF4·NC5H4(CH3), SF4·NC5H3(CH3)2, and SF4·NC5H4N(CH3)2 have been studied by Raman spectroscopy and X-ray crystallography. Crystal structures were obtained for pyridinium salts [HNC5H5(+)]F(-)·SF4 and [HNC5H5(+)]F(-)[HF]·2SF4, the 4-methylpyridinium salt [HNC5H4(CH3)(+)]F(-)·SF4, the 2,6-methylpyridinium salt [HNC5H3(CH3)2(+)]2[SF5(-)]F(-)·SF4, and 4-(dimethylamino)pyridinium salts [HNC5H4N(CH3)2(+)]2[SF5(-)]F(-)·CH2Cl2 and [NC5H4N(CH3)2(+)][HF2(-)]·2SF4. In addition, the structure of [HNC5H4(CH3)(+)][HF2(-)] was obtained. 4,4'-Bipyridyl reacts with SF4 and 1 and 2 equiv of HF to give the 4,4'-bipyridinium salts [NH4C5-C5H4NH(+)]F(-)·2SF4 and [HNH4C5-C5H4NH(2+)]2F(-)·4SF4, respectively. These structures exhibit a surprising range of bonding modalities and provide an extensive view of SF4 and its contacts with Lewis basic groups in the solid state. The interactions range from the strong F4S-F(-) bond in the previously observed SF5(-) anion to weak F4S---F(-), F4S(---F(-))2, and F4S(---FHF(-))2 dative bonds.

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 categoriesMeta-epidemiology (narrow)
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 score0.014
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.001
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 head0.205
Teacher spread0.196 · 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

Citations15
Published2016
Admission routes2
Has abstractyes

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