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Record W2466819030 · doi:10.1021/acs.inorgchem.5b00672

Ruthenium Complexes Stabilized by Bidentate Enamido-Phosphine Ligands: Aspects of Cooperative H<sub>2</sub> Activation

2015· article· en· W2466819030 on OpenAlexafffund
Truman C. Wambach, Michael D. Fryzuk

Bibliographic record

VenueInorganic Chemistry · 2015
Typearticle
Languageen
FieldChemistry
TopicAsymmetric Hydrogenation and Catalysis
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryPhosphineDenticityImineTautomerProtonationLigand (biochemistry)EnamineMedicinal chemistryRutheniumStereochemistryNuclear magnetic resonance spectroscopyCrystallographyCatalysisOrganic chemistryCrystal structure

Abstract

fetched live from OpenAlex

Four bidentate, hybrid ligands ((R)(NP)(R')H) featuring imine-nitrogen and alkyl-phosphine donors linked by a cyclopentyl ring were synthesized. The ortho position of the aryl group attached to nitrogen is varied such that R is Me or Pr(i); additionally, the groups decorating phosphorus (R') are varied between Bu(t) or Pr(i). The addition of each ligand to RuHCl(PPr(i)3)2(CO) in the presence of KOBu(t) generates four enamido-phosphine complexes RuH{(R)(NP)(R')}(PPr(i)3)(CO) that were characterized by NMR spectroscopy, elemental analyses, and, in the case of R = Pr(i) and R' = Bu(t) or Pr(i), X-ray crystallography. Depending on R', the reaction of RuH{(R)(NP)(R')}(PPr(i)3)(CO) with H2 generates varying amounts of the imine-phosphine complex RuH2{(R)(NP)(R')H}(PPr(i)3)(CO). Insights into the mechanism of H2 activation by these enamido derivatives were explored using RuH{(Pr)(NP)(Pri)}(PPr(i)3)(CO), for which an intermediate was identified as the dihydrogen-dihydride complex, RuH2(H2){(Pri)(NP)(Pri)H}(PPr(i)3)(CO), on the basis of the T1,min value of 22 ms for the (1)H NMR resonance at δ -7.2 at 238 K (measured at 400 MHz). The N donor of the enamine tautomeric form of the ligand is protonated by H2 or D2 and dissociates from Ru. Tautomerization of the enamine to the imine form of the dissociated arm is involved in formation of the final product.

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)0.001
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 score0.010
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
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)0.0010.000

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 head0.011
GPT teacher head0.227
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

Citations12
Published2015
Admission routes2
Has abstractyes

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