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Record W2516883472 · doi:10.1021/acs.organomet.5b00539

Nickel and Palladium Complexes of Ferrocene-Backbone Bisphosphine-Borane and Trisphosphine Ligands

2015· article· en· W2516883472 on OpenAlexafffund
Bradley E. Cowie, David J. H. Emslie

Bibliographic record

VenueOrganometallics · 2015
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryLigand (biochemistry)FerrocenePalladiumPhosphineMedicinal chemistryBoraneNickelStereochemistryPolymer chemistryCrystallographyOrganic chemistryCatalysisElectrochemistry

Abstract

fetched live from OpenAlex

Reaction of a ferrocene-backbone bisphosphine-borane ligand, [Fe(η 5 -C 5 H 4 PPh 2 )(η 5 -C 5 H 4 P t Bu{C 6 H 4 (BPh 2 )- o })] (FcPPB), with [Ni(cod) 2 ] (cod = 1,5-cyclooctadiene) or 0.5 equiv of [Pd 2 (dba) 3 ] (dba = trans, trans -dibenzylideneacetone) afforded [Ni(FcPPB)] ( 1 ) and [Pd(FcPPB)] ( 2 ), respectively; compound 1 does not react with dba. The FcPPB ligand in complexes 1 and 2 is coordinated via both phosphine donors and an η 3 BCC -interaction with boron and the ipso - and ortho -carbon atoms of a B -phenyl group. The triphosphine analogue of the FcPPB ligand, [Fe(η 5 -C 5 H 4 PPh 2 )(η 5 -C 5 H 4 P t Bu{C 6 H 4 (PPh 2 )- o })] (FcPPP), was prepared by lithiation of [Fe(η 5 -C 5 H 4 PPh 2 )(η 5 -C 5 H 4 P t Bu(C 6 H 4 Br- o )] followed by addition of Ph 2 PCl, and reaction of FcPPP with [Ni(cod) 2 ] provided “Ni(FcPPP)” ( 3 ), which exists as a mixture of isomers in which the FcPPP ligand is κ 3 PPP -coordinated. Attempts to obtain X-ray quality crystals of 3 were derailed by its propensity to react with traces of N 2 within an argon-filled glovebox, yielding rac -[{Ni(FcPPP)} 2 (μ-N 2 )] ( 4 ), in which two nickel(0) centers are linked by an end-on-bridging N 2 unit. By contrast, reaction of FcPPP with 0.5 equiv of [Pd 2 (dba) 3 ] provided [Pd(η 2 -dba)(FcPPP)] ( 5 ), in which the FcPPP ligand is κ 2 PP -coordinated, and 1 equiv of dba remains η 2 CC -coordinated to palladium. Complexes 3 and 4 also reacted with dba, forming a new compound tentatively assigned as [Ni(η 2 -dba)(FcPPP)] ( 6 ). Complexes 1, 2, and 5 did not react with N 2 .

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.021
GPT teacher head0.240
Teacher spread0.219 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations36
Published2015
Admission routes2
Has abstractyes

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