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Record W4409446510 · doi:10.1139/cjc-2025-0003

Reactivity of dinuclear palladium phosphine 1-azaallyl complexes

2025· article· en· W4409446510 on OpenAlexafffundvenue
John S. Lee, Meagan B. Kindervater, Omar Castro-Sandoval, D. G. Stephens, Ethan Lidsky, Emily Traver, Johanna M. Blacquiere

Bibliographic record

VenueCanadian Journal of Chemistry · 2025
Typearticle
Languageen
FieldChemistry
TopicCatalytic Cross-Coupling Reactions
Canadian institutionsWestern University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryPalladiumPhosphineReactivity (psychology)Medicinal chemistryPhotochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

The reactivity of two dinuclear palladium complexes, [PdMe(P^AzA)] 2 (1; P^AzA = [Ph 2 P(C 6 H 4 )NCHC(CH 3 ) 2 ] – ) and [Pd(P^AzA)] 2 (2), toward small molecules was evaluated. First, an optimized synthesis of 2 was demonstrated, which involved P^AzA ligand coordination to the Pd(I) dinuclear precursor [Pd(MeCN) 3 ] 2 [BF 4 ] 2 . Complexes 1 and 2 were treated with the Lewis bases pyridine and CO. With pyridine, the Pd(II) complex 1 afforded a mononuclear py adduct Pd(P^AzA)(py) (3), while the Pd(I) complex 2 underwent disproportionation to give Pd(P^AzA) 2 (4) and Pd black. With CO, 1 decomposed while 2 followed Lewis base-induced disproportionation. Both 1 and 2 reacted with H 2 to heterolytically cleave the small molecule by metal-ligand cooperative bond activation. Similar bond activation of the polarized O–H bonds of PhOH and H 2 O was observed. The heterolytic cleavage reactions permitted isolation and characterization of select reaction products. Dinuclear Pd(I) complex 2 reacted with H 2 to afford mononuclear [Pd(Ph 2 P(C 6 H 4 )NCH 2 C(CH 3 ) 2 CH( i-Pr)N(C 6 H 4 )PPh 2 )] (5), in which H 2 addition occurred to the ligand framework. Dinuclear Pd(II) complex 1 reacted with PhOH to afford the mononuclear phenoxide complex Pd(Me)(OPh)(P^Imine) (6; P^Imine = [Ph 2 P(C 6 H 4 )N=CH( i-Pr)]). The reactions of 1 and 2 show the importance of both the supporting ligand and metal oxidation states to dictate preferred reaction outcomes of dinuclear complexes.

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 score0.024
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 science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.238
Teacher spread0.229 · 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

Citations0
Published2025
Admission routes3
Has abstractyes

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