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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 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)0.036
metaresearch head score (Gemma)0.019
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
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 score0.080
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0360.019
Meta-epidemiology (narrow)0.0570.067
Meta-epidemiology (broad)0.0470.039
Bibliometrics0.0270.042
Science and technology studies0.0280.026
Scholarly communication0.0240.029
Open science0.0410.027
Research integrity0.0330.068
Insufficient payload (model declined to judge)0.0010.023

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; 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

Citations12
Published2019
Admission routes2
Has abstractyes

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