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Record W4252392671 · doi:10.1002/ange.201606851

Synthesis and Characterization of [XeOXe]<sup>2+</sup>in the Adduct‐Cation Salt, [CH<sub>3</sub>CN‐ ‐ ‐XeOXe‐ ‐ ‐NCCH<sub>3</sub>][AsF<sub>6</sub>]<sub>2</sub>

2016· article· en· W4252392671 on OpenAlexafffund
John R. De Backere, Mark R. Bortolus, Gary J. Schrobilgen

Bibliographic record

VenueAngewandte Chemie · 2016
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of CanadaCanadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada
KeywordsAdductChemistryNatural bond orbitalRaman spectroscopyAcetonitrileMoleculeIonic bondingCrystallographyXenonIonOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Acetonitrile and [FXeOXe‐ ‐ ‐FXeF][AsF 6 ] react at −60 °C in anhydrous HF (aHF) to form the CH 3 CN adduct of the previously unknown [XeOXe] 2+ cation. The low‐temperature X‐ray structure of [CH 3 CN‐ ‐ ‐XeOXe‐ ‐ ‐NCCH 3 ][AsF 6 ] 2 exhibits a well‐isolated adduct‐cation that has among the shortest Xe−N distances obtained for an sp‐hybridized nitrogen base adducted to xenon. The Raman spectrum was fully assigned by comparison with the calculated vibrational frequencies and with the aid of 18 O‐enrichment studies. Natural bond orbital (NBO), atoms in molecules (AIM), electron localization function (ELF), and molecular electrostatic potential surface (MEPS) analyses show that the Xe−O bonds are semi‐ionic whereas the Xe−N bonds may be described as strong electrostatic (σ‐hole) 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.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
Consensus categoriesMeta-epidemiology (narrow)
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
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0010.001
Scholarly communication0.0000.001
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 head0.008
GPT teacher head0.194
Teacher spread0.186 · 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

Citations2
Published2016
Admission routes2
Has abstractyes

Explore more

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