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Record W2036657192 · doi:10.1021/om060601k

Carboxylic Acids as Lewis Bases:  Structures and Properties of Strongly Acidic Carboxylic Acid Adducts of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>

2006· article· en· W2036657192 on OpenAlexaff
Simona Mitu, Michael C. Baird

Bibliographic record

VenueOrganometallics · 2006
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsQueen's University
Fundersnot available
KeywordsChemistryAdductElectrophileCarboxylic acidLewis acids and basesBenzoic acidMedicinal chemistryOxygen atomStereochemistryNuclear magnetic resonance spectroscopyCrystallographyMoleculeCatalysisPolymer chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Carboxylic acids react with B(C 6 F 5 ) 3 in CH 2 Cl 2 to form 1:1 adducts, which have been characterized by room-temperature IR and low-temperature (−30 °C) 1 H, 19 F, 13 C, and 11 B NMR spectroscopy. Coordination appears to occur via the carbonyl oxygen atom, and exchange between an adduct and its components is generally sufficiently slow that 1 H, 19 F, 13 C, and 11 B resonances of the adduct are readily distinguished from the 1 H and 13 C resonances of the corresponding free acid and the 19 F and 11 B resonances of free B(C 6 F 5 ) 3 . The electron-withdrawing power of the highly electrophilic B(C 6 F 5 ) 3 increases the Brønsted acidity of the coordinated carboxylic acids sufficiently that they are able to protonate isobutene and thus initiate its carbocationic polymerization. The enhanced acidity also results in slow, partial cleavage of B−C 6 F 5 bonds, and with benzoic acid the compound [(μ-C 6 H 5 CO 2 )(μ-OH){B(C 6 F 5 ) 2 } 2 ] has been isolated and characterized crystallographically. Because of slow B−C 6 F 5 cleavage, crystallographically useful crystals of a 1:1 adduct of a carboxylic acid have not been obtained, but C 2 H 5 CO 2 Me·B(C 6 F 5 ) 3, the 1:1 adduct of methyl propionate, has for purposes of comparison been prepared and characterized spectroscopically and crystallographically. In this case coordination occurs unequivocally via the carbonyl oxygen atom.

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 science0.0000.000
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 head0.009
GPT teacher head0.194
Teacher spread0.185 · 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

Citations33
Published2006
Admission routes1
Has abstractyes

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