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Record W2081955683 · doi:10.1021/om058013e

Dialkyl and Trialkyl Heterobinuclear Complexes of Rhodium and Iridium:  Models for Adjacent-Metal Involvement in Bimetallic Catalysts

2005· article· en· W2081955683 on OpenAlexaff
Robert W. Hilts, Okemona Oke, Michael J. Ferguson, Robert McDonald, Martín Cowie

Bibliographic record

VenueOrganometallics · 2005
Typearticle
Languageen
FieldChemistry
TopicAsymmetric Hydrogenation and Catalysis
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryBimetallic stripIridiumRhodiumMetalAcetoneMedicinal chemistryLigand (biochemistry)Reactivity (psychology)Intramolecular forceAlkylCatalysisHydridePhotochemistryStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The heterobinuclear dialkyl complexes [RhIr(R) 2 (μ-CO)(dppm) 2 ] (dppm = μ-Ph 2 PCH 2 PPh 2; R = CH 3 ( 2 ), CH 2 Ph ( 3 )) have been prepared. Both A-frame-like compounds have one alkyl group terminally bound to each metal and a bridging carbonyl ligand. Some subsequent reactivity studies of 2 are reported. Reaction of 2 with CO yields [RhIr(CO) 3 (dppm) 2 ] and acetone. If this reaction is monitored at low temperature by NMR spectroscopy, the dicarbonyl species [RhIr(CH 3 ) 2 (CO) 2 (dppm) 2 ] ( 4 ) is first observed, followed by [RhIr(CH 3 ) 2 (CO) 3 (dppm) 2 ] ( 5 ). In both products, both methyl groups are bound to Ir. Warming to ambient temperature under CO yields acetone and [RhIr(CO) 3 (dppm) 2 ]. Crossover experiments suggest that acetone arises primarily from an intramolecular process. We propose that migratory insertion of a CO and a methyl group occurs on Ir; presumably reductive elimination also occurs from this metal. Compound 2 reacts with H 2 at −78 °C to yield [RhIrH(CH 3 ) 2 (μ-H)(μ-CO)(dppm) 2 ] ( 6 ), in which one methyl group is bound to Rh while the other, together with a hydride ligand, is terminally bound to Ir. This latter species reacts with CO at 0 °C to yield [RhIrH(C(O)CH 3 )(CH 3 )(μ-H)(μ-CO)(dppm) 2 ] ( 7 ), in which migratory insertion involving CO and the Rh-bound methyl group has yielded a Rh-bound acetyl group. At ambient temperature, under an atmosphere of CO, [RhIr(CO) 3 (dppm) 2 ] is formed, together with acetaldehyde and methane. Crossover experiments support a predominantly intramolecular process for acetaldehyde formation but are equivocal on the formation of methane. Compound 2 oxidatively adds CH 3 I or n - C 4 H 9 I, yielding [RhIr(CH 3 ) 2 (R)(μ-I)(μ-CO)(dppm) 2 ] (R = CH 3, n - C 4 H 9 ), in which the added alkyl group in each case is bound to Ir. The n - butyl product reacts with CO to yield [RhIr( n - C 4 H 9 )(CH 3 ) 2 (μ-CO) 2 (dppm) 2 ][I], in which the n - butyl group has migrated to Rh. A similar product, [RhIr(CH 3 ) 3 (μ-CO) 2 (dppm) 2 ][CF 3 SO 3 ], is obtained in the reaction of 2 with methyl triflate in the presence of CO.

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)
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 score0.094
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.024
GPT teacher head0.239
Teacher spread0.216 · 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

Citations11
Published2005
Admission routes1
Has abstractyes

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