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Record W2319223261 · doi:10.1021/om100915v

Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium

2011· article· en· W2319223261 on OpenAlexafffund
T.W. Graham, K.A. Udachin, Marek Z. Zgierski, Arthur J. Carty

Bibliographic record

VenueOrganometallics · 2011
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsSteacie Institute for Molecular SciencesUniversity of Ottawa
FundersNational Research Council CanadaNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryPhosphinideneElectrophileCrystallographyNucleophileStereochemistryLigand (biochemistry)Reactivity (psychology)VanadiumCarbyneAgostic interactionAdductCrystal structureMoleculeCarbeneMedicinal chemistryInorganic chemistryCatalysisMetal

Abstract

fetched live from OpenAlex

The first thermally stable, neutral, electrophilic phosphinidene complexes of vanadium, [CpV(CO) 3 {η 1 -P(NR 2 )}] (R = i Pr ( 3a ), Cy ( 3b )), have been prepared by the reaction of [Na] 2 [CpV(CO) 3 ] with Cl 2 PNR 2 . The molecules 3a and 3b have been characterized by microanalysis, IR, and 1 H and 31 P{ 1 H} NMR spectroscopy, and for 3a also by single-crystal X-ray diffraction. The structure of 3a exhibits a piano stool geometry closely related to that of CpV(CO) 4 with an η 1 -phosphinidene ligand replacing CO in one of the basal coordination sites of the vanadium atom (V(1)−P(1) = 2.300(2) Å). The reactivity of 3a toward a variety of unsaturated substrates: PhC≡CPh, di- t Bu-imidazol-2-ydene, PhN 3, and Ph 2 C═N═N has been examined to probe the electrophilic (or nucleophilic) character of the low-coordinate P(I) site. In all cases reactions occur exclusively at the phosphinidene phosphorus atom, without CO displacement, affording examples of P-coordinated phosphirene [CpV(CO) 3 {P(N i Pr 2 )CPh═CPh}] ( 7 ), abnormal NCN carbene adduct [CpV(CO) 3 {P(N i Pr 2 )-4-cyclo-C 3 H 2 -1,3-(N t Bu) 2 )}] ( 8 ), diazaphosphaimine [CpV(CO) 3 {P(N i Pr 2 )═N−N═CPh 2 }] ( 12 ), and P-coordinated phosphaimine [CpV(CO) 3 {P(N i Pr 2 )═NPh}] ( 14 ) complexes. The η 1 -phosphaimine complexes 12 and 14 lose carbon monoxide to yield derivatives [CpV(CO) 2 {P(N i Pr 2 )N−N═CPh 2 }] ( 9 ) and [CpV(CO) 2 {P(N i Pr 2 )═NPh}] ( 15 ), which contain η 2 -(P,N)-coordinated phosphaimine ligands. An η 3 -(P,N,N)-bound phosphaimine ligand is present in an isomer of 9, namely, [CpV(CO) 2 {P(N i Pr 2 )N−N═CPh 2 }], 13 . Complexes 3a, 7, 8, 9, 14, and 15 have been characterized by X-ray crystallography.

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)0.000
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 score0.275
Threshold uncertainty score0.995

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)0.0060.000

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 head0.013
GPT teacher head0.181
Teacher spread0.169 · 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 teacher head, not a consensus.

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

Citations51
Published2011
Admission routes2
Has abstractyes

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