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Record W2007344394 · doi:10.1021/om040051v

Bridging Methylene to Bridging Acyl Conversion in Heterobinuclear Rh/Ru Complexes:  Models for Adjacent-Metal Involvement in Bimetallic Catalysts

2004· article· en· W2007344394 on OpenAlexaff
B.D. Rowsell, Robert McDonald, Martín Cowie

Bibliographic record

VenueOrganometallics · 2004
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryMethyleneHydrideAgostic interactionProtonationCarbeneMigratory insertionBimetallic stripAdductMetalLigand (biochemistry)Medicinal chemistryStereochemistryCatalysisMethyl groupCyclopentadieneNuclear magnetic resonance spectroscopyOrganic chemistryGroup (periodic table)

Abstract

fetched live from OpenAlex

Protonation of the methylene-bridged complex [RhRu(CO) 4 (μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] ( 1 ) at −80 °C yields an asymmetrically bridged methyl complex in which the methyl ligand is σ-bound to Ru while being involved in an agostic interaction with Rh. Warming to −40 °C results in migration of the methyl group to a terminal site on Rh, and further warming to 0 °C results in migratory insertion to give the acetyl-bridged complex [RhRu(OSO 2 CF 3 )(CO) 2 (μ-C(CH 3 )O)(μ-CO)(dppm) 2 ][CF 3 SO 3 ] ( 4 ), in which the acetyl carbon is bound to Rh and its oxygen is bound to Ru. At ambient temperature one carbonyl is lost from 4 to give [RhRu(OSO 2 CF 3 )(CO) 2 (μ-C(CH 3 )O)(dppm) 2 ][CF 3 SO 3 ] ( 5 ). Carbon-13 NMR spectroscopy and the X-ray structures of both acetyl-bridged products suggest significant carbene character in the acyl carbon. Attempts to obtain methyl and subsequently acetyl species by methylene insertion into metal−hydride bonds of the appropriate precursors [RhRu(X)(CO) 4 (μ-H)(dppm) 2 ][X] (X - = CF 3 SO 3 -, BF 4 - ) failed, with these hydride species being unreactive to CH 2 N 2 . Similarly, reaction of 1 with HCl yielded only the methyl complex [RhRu(CH 3 )(CO) 3 (μ-Cl)(dppm) 2 ][CF 3 SO 3 ], which did not undergo migratory insertion. Protonation of the methylene-bridged PMe 3 adduct [RhRu(PMe 3 )(CO) 3 (μ-CH 2 )(dppm) 2 ][CF 3 SO 3 ] yields [Rh Ru (OSO 2 CF 3 )(CO) 2 (μ- C (CH 3 )O)(dppm) 2 ][CF 3 SO 3 ] in which the binding of the acetyl group is reversed, being C-bound to Ru and O-bound to Rh. This species undergoes facile rearrangement to 5 at ambient temperature.

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)0.001
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 score0.019
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.002
Science and technology studies0.0000.000
Scholarly communication0.0000.001
Open science0.0010.001
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 head0.027
GPT teacher head0.243
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

Citations49
Published2004
Admission routes1
Has abstractyes

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