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Record W2971457240 · doi:10.1002/chem.201901759

Xenon Trioxide Adducts of <i>O</i> ‐Donor Ligands; [(CH <sub>3</sub> ) <sub>2</sub> CO] <sub>3</sub> XeO <sub>3</sub> , [(CH <sub>3</sub> ) <sub>2</sub> SO] <sub>3</sub> (XeO <sub>3</sub> ) <sub>2</sub> , (C <sub>5</sub> H <sub>5</sub> NO) <sub>3</sub> (XeO <sub>3</sub> ) <sub>2</sub> , and [(C <sub>6</sub> H <sub>5</sub> ) <sub>3</sub> PO] <sub>2</sub> XeO <sub>3</sub>

2019· article· en· W2971457240 on OpenAlexafffund
Katherine M. Marczenko, James T. Goettel, Hélène P. A. Mercier, Gary J. Schrobilgen

Bibliographic record

VenueChemistry - A European Journal · 2019
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsAdductChemistryCoordination sphereCrystallographyXenonOctahedronTriphenylphosphine oxideLigand (biochemistry)Crystal structureSquare pyramidSquare pyramidal molecular geometryTriphenylphosphineOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Xenon trioxide (XeO 3 ) forms adducts with triphenylphosphine oxide, dimethylsulfoxide, pyridine‐ N ‐oxide, and acetone by coordination of the ligand oxygen atoms to the Xe VI atom of XeO 3 . The crystalline adducts were characterized by low‐temperature, single‐crystal X‐ray diffraction, and Raman spectroscopy. Unlike solid XeO 3 , which detonates when mechanically or thermally shocked, solid (C 5 H 5 NO) 3 (XeO 3 ) 2 , [(C 6 H 5 ) 3 PO] 2 XeO 3 , and [(CH 3 ) 2 SO] 3 (XeO 3 ) 2 are insensitive to mechanical shock. The [(CH 3 ) 2 SO] 3 (XeO 3 ) 2 adduct slowly decomposes over several days to (CH 3 ) 2 SO 2 , Xe, and O 2 . All three complexes undergo rapid deflagration when ignited by a flame. Both [(C 6 H 5 ) 3 PO] 2 XeO 3 and (C 5 H 5 NO) 3 (XeO 3 ) 2 are room‐temperature stable and the [(CH 3 ) 2 CO] 3 XeO 3 complex dissociates at room temperature to form a stable solution of XeO 3 in acetone. The xenon coordination sphere of [(C 6 H 5 ) 3 PO] 2 XeO 3 , a distorted square‐pyramid, provides the first example of a five‐coordinate XeO 3 complex with only two Xe‐ ‐ ‐O adduct bonds. The xenon coordination spheres of the remaining adducts are distorted octahedra, comprised of three Xe‐ ‐ ‐O secondary bonds that are approximately trans to the primary Xe−O bonds of XeO 3 . Quantum‐chemical calculations were used to assess the nature of the Xe‐ ‐ ‐O adduct bonds, which are described as predominantly electrostatic bonds between the nucleophilic oxygen atoms of the bases and the σ‐holes of the electrophilic xenon atoms.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.001
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.213
Teacher spread0.204 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations12
Published2019
Admission routes2
Has abstractyes

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