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Record W2599033844 · doi:10.1021/acs.organomet.7b00077

Formation of Gold(III) Alkyls from Gold Alkoxide Complexes

2017· article· en· W2599033844 on OpenAlexaff
Isabelle Chambrier, Dragoş‐Adrian Roşca, Julio Fernández‐Cestau, David L. Hughes, Peter H. M. Budzelaar, Manfred Bochmann

Bibliographic record

VenueOrganometallics · 2017
Typearticle
Languageen
FieldChemistry
TopicCatalytic Alkyne Reactions
Canadian institutionsUniversity of Manitoba
FundersH2020 European Research CouncilUniversity of East Anglia
KeywordsChemistryPhosphineMethoxidePhosphoraneAlkoxideTolueneMedicinal chemistryBenzeneReductive eliminationStereochemistryCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide The gold(III) methoxide complex (C ∧ N ∧ C)AuOMe ( 1 ) reacts with tris( p -tolyl)phosphine in benzene at room temperature under O abstraction to give the methylgold product (C ∧ N ∧ C)AuMe ( 2 ) together with O═P( p -tol) 3 ((C ∧ N ∧ C) = [2,6-(C 6 H 3 t Bu-4) 2 pyridine] 2– ). Calculations show that this reaction is energetically favorable (Δ G = −32.3 kcal mol –1 ). The side products in this reaction, the Au(II) complex [Au(C ∧ N ∧ C)] 2 ( 3 ) and the phosphorane ( p -tol) 3 P(OMe) 2, suggest that at least two reaction pathways may operate, including one involving (C ∧ N ∧ C)Au • radicals. Attempts to model the reaction by DFT methods showed that PPh 3 can approach 1 to give a near-linear Au–O–P arrangement, without phosphine coordination to gold. The analogous reaction of (C ∧ N ∧ C)AuOEt, on the other hand, gives exclusively a mixture of 3 and ( p -tol) 3 P(OEt) 2 . Whereas the reaction of (C ∧ N ∧ C)AuOR (R = Bu t, p -C 6 H 4 F) with P( p -tol) 3 proceeds over a period of hours, compounds with R = CH 2 CF 3, CH(CF 3 ) 2 react almost instantaneously, to give 3 and O═P( p -tol) 3 . In chlorinated solvents, treatment of the alkoxides (C ∧ N ∧ C)AuOR with phosphines generates [(C ∧ N ∧ C)Au(PR 3 )]Cl, via Cl abstraction from the solvent. Attempts to extend the synthesis of gold(III) alkoxides to allyl alcohols were unsuccessful; the reaction of (C ∧ N ∧ C)AuOH with an excess of CH 2 ═CHCH 2 OH in toluene led instead to allyl alcohol isomerization to give a mixture of gold alkyls, (C ∧ N ∧ C)AuR′ (R′ = −CH 2 CH 2 CHO ( 10 ), −CH 2 CH(CH 2 OH)OCH 2 CH═CH 2 ( 11 )), while 2-methallyl alcohol affords R′ = CH 2 CH(Me)CHO ( 12 ). The crystal structure of 11 was determined. The formation of Au–C instead of the expected Au–O products is in line with the trend in metal–ligand bond dissociation energies for Au(III): M–H > M–C > M–O.

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 score0.099
Threshold uncertainty score0.999

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 science0.0010.000
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 head0.028
GPT teacher head0.261
Teacher spread0.233 · 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

Citations19
Published2017
Admission routes1
Has abstractyes

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