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Record W2324695677 · doi:10.1021/om200545j

Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C<sub>9</sub>H<sub>6</sub>PPh<sub>3</sub>, 1-C<sub>9</sub>H<sub>6</sub>PMePh<sub>2</sub>, and 1-C<sub>9</sub>H<sub>6</sub>PMe<sub>2</sub>Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)(η<sup>5</sup>-PHIN)]PF<sub>6</sub>

2011· article· en· W2324695677 on OpenAlexaff
Kevin G. Fowler, Shalyn Littlefield, Michael C. Baird, Peter H. M. Budzelaar

Bibliographic record

VenueOrganometallics · 2011
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of ManitobaQueen's University
Fundersnot available
KeywordsChemistryPhosphoniumRutheniumNuclear magnetic resonance spectroscopyCrystallographyEnantiomerStereochemistryNMR spectra databaseIntramolecular forceMedicinal chemistryCatalysisSpectral linePolymer chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Syntheses of the phosphonium-1-indenylide (PHIN) ligands triphenylphosphonium-1-indenylide (1-C 9 H 6 PPh 3, I ), methyldiphenylphosphonium-1-indenylide (1-C 9 H 6 PMePh 2, II ), and dimethylphenylphosphonium-1-indenylide (1-C 9 H 6 PMe 2 Ph, III ) are reported, as are syntheses of the corresponding planar chiral ruthenium(II) complexes [Ru(η 5 -C 5 H 5 )(η 5 -1-C 9 H 6 PPh 3 )]PF 6 ( IV ), [Ru(η 5 -C 5 H 5 )(η 5 -1-C 9 H 6 PMePh 2 )]PF 6 ( V ), and [Ru(η 5 -C 5 H 5 )(η 5 -1-C 9 H 6 PMe 2 Ph)]PF 6 ( VI ). The ruthenium complexes have been characterized by 1 H, 13 C, and 31 P NMR spectroscopy, by X-ray crystallography, and by extensive DFT calculations, which produce optimized geometries consistent with the crystallographic data. The PHIN–Ru bond strengths are calculated to be ∼20 kcal/mol greater than the corresponding benzene–Ru bond strength of [Ru(η 5 -C 5 H 5 )(η 6 -C 6 H 6 )] + and are compatible with the observed configurational stability of the complexes. That interconversion of enantiomers via interfacial exchange of the η 5 -bound ligands does not occur is demonstrated by the observation of diastereotopic phenyl groups in the 1 H NMR spectrum of V and of diastereotopic methyl groups in the 1 H NMR spectrum of VI .

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)0.013
metaresearch head score (Gemma)0.009
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Open science, Research integrity
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 score0.059
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0130.009
Meta-epidemiology (narrow)0.0210.020
Meta-epidemiology (broad)0.0220.011
Bibliometrics0.0090.019
Science and technology studies0.0120.015
Scholarly communication0.0070.009
Open science0.0170.016
Research integrity0.0110.016
Insufficient payload (model declined to judge)0.0010.002

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 head0.190
Teacher spread0.174 · 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

Citations11
Published2011
Admission routes1
Has abstractyes

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