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Record W2319508536 · doi:10.1021/om500856p

Structures and CO<sub>2</sub> Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines

2014· article· en· W2319508536 on OpenAlexfundno aff
Diane A. Dickie, Richard A. Kemp

Bibliographic record

VenueOrganometallics · 2014
Typearticle
Languageen
FieldChemical Engineering
TopicCarbon dioxide utilization in catalysis
Canadian institutionsnot available
FundersSandia National LaboratoriesDivision of ChemistryNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryHomolepticAdductReactivity (psychology)IsopropylZincMedicinal chemistryMonomerLewis acids and basesNuclear magnetic resonance spectroscopyCrystal structureFrustrated Lewis pairStereochemistryCrystallographyCatalysisOrganic chemistryMetalPolymer

Abstract

fetched live from OpenAlex

The bis(phosphino)amines (R 2 P)NH(PR′ 2 ) (R = R′ = isopropyl; R = R′ = phenyl; R = isopropyl, R′ = phenyl) react with ZnEt 2 to form complexes with two different structural motifs, either the homoleptic monomeric P,P-chelates Zn[N( i -Pr 2 P) 2 ] 2 and Zn[N( i -Pr 2 P)(Ph 2 P)] 2 or the heteroleptic dimeric Zn 2 N 2 P 2 heterocycles {EtZn[N(PPh 2 ) 2 ]} 2 and {EtZn[N(PPh 2 )( i -Pr 2 P)]} 2 . In two cases, CO 2 reacts with these complexes to give adducts Zn[O 2 CP( i -Pr 2 )NP( i -Pr 2 )] 2 and Zn[O 2 CP( i -Pr 2 )NPPh 2 ][Ph 2 PN( i -Pr 2 P)]ZnEt 2, similar to adducts formed from the reaction of CO 2 with frustrated Lewis pairs (FLPs). In the other two cases, reaction with CO 2 results in cleavage and rearrangement of the N–P bonds to give either N(PPh 2 ) 3 or Ph 2 P( i Pr 2 P)NPPh 2 . The zinc complexes and their CO 2 products were characterized with a combination of single crystal X-ray diffraction and multinuclear NMR spectroscopy.

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 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 score0.021
Threshold uncertainty score0.920

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
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 head0.010
GPT teacher head0.222
Teacher spread0.212 · 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.

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

Citations15
Published2014
Admission routes1
Has abstractyes

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