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Record W2810253518 · doi:10.1002/anie.201806640

A Stable Crown Ether Complex with a Noble‐Gas Compound

2018· article· en· W2810253518 on OpenAlex
Katherine M. Marczenko, 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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueAngewandte Chemie International Edition · 2018
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsCrown etherXenonChemistryNoble gasDenticityEtherAdductCrystallographyLigand (biochemistry)Oxygen atom18-Crown-6Crystal structureMoleculeIonOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Crown ethers have been known for over 50 years, but no example of a complex between a noble‐gas compound and a crown ether or another polydentate ligand had previously been reported. Xenon trioxide is shown to react with 15‐crown‐5 to form the kinetically stable (CH 2 CH 2 O) 5 XeO 3 adduct, which, in marked contrast with solid XeO 3 , does not detonate when mechanically shocked. The crystal structure shows that the five oxygen atoms of the crown ether are coordinated to the xenon atom of XeO 3 . The gas‐phase Wiberg bond valences and indices and the empirical bond valences indicate that the Xe‐ ‐ ‐O crown bonds are predominantly electrostatic and are consistent with σ‐hole bonding. Mappings of the electrostatic potential (EP) onto the Hirshfeld surfaces of XeO 3 and 15‐crown‐5 in (CH 2 CH 2 O) 5 XeO 3 and a detailed examination of the molecular electrostatic potential surface (MEPS) of XeO 3 and (CH 2 CH 2 O) 5 reveal regions of negative EP on the oxygen atoms of (CH 2 CH 2 O) 5 and regions of high positive EP on the xenon atom, which are also in accordance with 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.

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 score0.446
Threshold uncertainty score0.987

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)0.0140.000

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 head0.016
GPT teacher head0.244
Teacher spread0.227 · 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