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Record W2025489150 · doi:10.1021/om030539g

Anionic Phosphinimine-Chelate Complexes of Rhodium and Iridium:  Steric and Electronic Influences on Oxidative Addition of CH<sub>2</sub>Cl<sub>2</sub>

2003· article· en· W2025489150 on OpenAlexaff
Katie T. K. Chan, L.P. Spencer, Jason D. Masuda, Jenny S. J. McCahill, Pingrong Wei, Douglas W. Stephan

Bibliographic record

VenueOrganometallics · 2003
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Windsor
Fundersnot available
KeywordsChemistrySteric effectsIridiumRhodiumImidazolateChelationMedicinal chemistryOxidative additionStereochemistryCatalysisInorganic chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The phosphinimines Ph 3 PNR (R = Ph 1, 2,6-Me 2 C 6 H 3 2, 3,5-Me 2 C 6 H 3 3, 2,6- i- Pr 2 C 6 H 3 4 ) were prepared and used to generate the species of the form [Li( o -C 6 H 4 PPh 2 NR)] 2 ·Et 2 O (R = Ph 5, 2,6-Me 2 C 6 H 3 6, 3,5-Me 2 C 6 H 3 7, 2,6- i -Pr 2 C 6 H 3 8 ). Subsequent reactions with [Rh(μ-Cl)(COD)] 2 gave the complexes Rh(COD)( o -C 6 H 4 PPh 2 NR) (R = Ph 9, 2,6-Me 2 C 6 H 3 10, 3,5-Me 2 C 6 H 3 11, 2,6- i -Pr 2 C 6 H 3 12 ). Similarly, the Ir analogue of 9 ( 13 ) was prepared using [Ir(μ-Cl)(COD)] 2 . The reaction of 9 with (CH 2 PPh 2 ) 2 afforded Rh(PPh 2 CH 2 CH 2 PPh 2 )( o -C 6 H 4 PPh 2 NPh) ( 14 ). Compound 9 was also shown to react with CH 2 Cl 2 to give two products, one of which was confirmed to be [Rh( o -C 6 H 4 PPh 2 NPh)(CH 2 - o -C 6 H 4 PPh 2 NPh)(μ-Cl) 2 Rh(COD)] ( 15 ). Similar treatment of 10 and 12 with CH 2 Cl 2 showed no reaction, while reaction of 11 with CH 2 Cl 2 gave a mixture of unidentified products. The related imidazole-phosphinimine ligands (N 2 C 3 H 3 )PPh 2 NR (R = Ph 18, 2,6-Me 2 C 6 H 3 19 ) were also prepared. These ligands react with NaH to give the corresponding Na-imidazolate-phosphinimines, 20 and 21, and subsequent reaction with [Rh(μ-Cl)(COD)] 2 gave the complexes Rh(COD)((N 2 C 3 H 2 )PPh 2 NR) (R = Ph 22, 2,6-Me 2 C 6 H 3 23 ). The compounds 22 and 23 do not react with CH 2 Cl 2 . The effects of steric and electronic modifications to the ligands on oxidative addition of C−Cl bonds are discussed. DFT calculations were performed on the model fragments [Rh((C 6 H 4 )PH 2 NH)] and [Rh((N 2 C 3 H 2 )PH 2 NH)], and the calculated atomic charges provide some insight into the reactivity of these compounds.

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 categoriesMeta-epidemiology (narrow), Insufficient 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 score0.009
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
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 head0.010
GPT teacher head0.209
Teacher spread0.199 · 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

Citations52
Published2003
Admission routes1
Has abstractyes

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