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Record W2323949459 · doi:10.1021/om4005252

Exploring the Variable Hapticity of the Arylamide Ligand: Access to σ-Amidophenyl and π-Cyclohexadienylimine Structures

2013· article· en· W2323949459 on OpenAlexaff
B.J. Ireland, Robert McDonald, Deryn E. Fogg

Bibliographic record

VenueOrganometallics · 2013
Typearticle
Languageen
FieldChemistry
TopicCoordination Chemistry and Organometallics
Canadian institutionsUniversity of AlbertaUniversity of Ottawa
Fundersnot available
KeywordsChemistryLigand (biochemistry)CarbonylationIsomerizationAmideMedicinal chemistryYield (engineering)StereochemistryPhenolOrganic chemistryReceptorCatalysisCarbon monoxide

Abstract

fetched live from OpenAlex

A study of the preference for σ vs π coordination of the arylamido ligand to a late transition metal shows that LiNPh 2 reacts with RuHCl(PPh 3 ) 3 ( 1 ) to yield the bent-seat piano-stool complex RuH[(η 5 -C 6 H 5 )NPh](PPh 3 ) 2 ( 2a ) but with RuHCl(CO)(PPh 3 ) 3 ( 3 ) to yield the σ-amide RuH(η 1 -NPh 2 )(CO)(PPh 3 ) 2 ( 4 ). The stability of the σ-bound NPh 2 ligand in 4 reflects the π acidity of the CO ligand, which inhibits PPh 3 loss. Carbonylation of 2a at 50 °C affords Ru(CO) 3 (PPh 3 ) 2 ( 8 ) and HNPh 2, suggesting sequential π → σ isomerization and reductive elimination. The phenoxide ligand behaves similarly: RuH(η 5 -C 6 H 5 O)(PPh 3 ) 2 ( 2b ) is formed from 1 but RuH(η 1 -OPh)(CO)(PPh 3 ) 3 ( 5 ) is formed from 3, and carbonylation of 2b gives 8 and phenol, although more forcing conditions are required (90 °C). The crystal structure of 2a is reported.

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 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 score0.055
Threshold uncertainty score0.999

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 science0.0010.001
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 head0.047
GPT teacher head0.232
Teacher spread0.186 · 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

Citations3
Published2013
Admission routes1
Has abstractyes

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