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Record W4367669725 · doi:10.1002/ejic.202300202

Atypical “Masked” Frustrated Lewis Pair Character in a Geminal‐Linked Phosphine‐Borane

2023· article· en· W4367669725 on OpenAlexafffund
Hannah J. Dokken, Brandon L. Frenette, Michael J. Ferguson, Eric Rivard

Bibliographic record

VenueEuropean Journal of Inorganic Chemistry · 2023
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsFrustrated Lewis pairGeminalChemistryBoranePhosphineFluoreneBoranesReactivity (psychology)StereochemistryMoleculeDensity functional theoryCrystallographyComputational chemistryLewis acids and basesOrganic chemistryBoronCatalysis

Abstract

fetched live from OpenAlex

Abstract We report the synthesis and reactivity of the geminal‐linked fluorene‐derived P/B frustrated Lewis pair (FLP) i Pr 2 P(C 13 H 8 )BCy 2 ( 1 ). Compound 1 displays anomalous behavior towards small molecules, acting as a “masked” FLP. This behavior stems from significant polarization of the B−C(fluorene) bond in 1 , as identified by density functional theory (DFT) computations. We exploit this B−C bond polarity through reactions with PhPCl 2 , H 3 N ⋅ BH 3 , and i PrNH 2 , demonstrating P−Cl and N−H bond activation, respectively.

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)0.001
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
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.002
Insufficient payload (model declined to judge)0.0110.001

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 head0.014
GPT teacher head0.222
Teacher spread0.208 · 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

Citations7
Published2023
Admission routes2
Has abstractyes

Explore more

Same venueEuropean Journal of Inorganic ChemistrySame topicOrganoboron and organosilicon chemistryFrench-language works237,207