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Record W2079418194 · doi:10.1021/om300017u

Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Pairs

2012· article· en· W2079418194 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueOrganometallics · 2012
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryLewis acids and basesAdductFrustrated Lewis pairMedicinal chemistryAmine gas treatingBase (topology)IminiumBoraneSalt (chemistry)HydrideBoranesStereochemistryCatalysisBoronOrganic chemistryMetal

Abstract

fetched live from OpenAlex

Reactions of N, N -dimethylaniline, N- isopropylaniline, 1,4-C 6 H 4 (CH 2 NH t Bu) 2, and benzyldimethylamine with the Lewis acid B(C 6 F 5 ) 3 have been studied. In the case of N, N -dimethylaniline the combination of the Lewis acid and base forms an almost completely noninteracting frustrated Lewis pair, while the corresponding reactions of N- isopropylaniline and benzyldimethylamine with B(C 6 F 5 ) 3 afford the adducts (PhNH i Pr)B(C 6 F 5 ) 3 ( 1 ) and PhCH 2 NMe 2 B(C 6 F 5 ) 3 ( 2 ), respectively. 1,4-C 6 H 4 (CH 2 NH t Bu) 2 reacts with 2 equiv of B(C 6 F 5 ) 3 to give rise to an inseparable mixture of the mono- and bis-amine–borane adducts as well as an iminium salt derived from hydride abstraction from a benzylic carbon of the diamine. Subsequent selected reactions of the Lewis acid/base combinations with H 2 afforded [PhNMe 2 H][HB(C 6 F 5 ) 3 ] ( 3 ), [PhCH 2 NMe 2 H][HB(C 6 F 5 ) 3 ] ( 4 ), and [1,4-C 6 H 4 (CH 2 NH 2 t Bu) 2 ][HB(C 6 F 5 ) 3 ] 2 ( 5 ). Reactions with CO 2 gave PhCH 2 NMe 2 CO 2 B(C 6 F 5 ) 3 ( 6 ), [PhN i PrH 2 ][PhN i PrCO 2 B(C 6 F 5 ) 3 ] ( 8 ), [1,4-C 6 H 4 (CH 2 NH 2 t Bu)(CH 2 N t BuCO 2 B(C 6 F 5 ) 3 ] ( 9 ), and [C 5 H 6 Me 4 NMeH] 2 [1,4-C 6 H 4 (CH 2 N t BuCO 2 B(C 6 F 5 ) 3 ) 2 ] ( 10 ). Interestingly, the species 4 also reacts with CO 2 to give [PhCH 2 NMe 2 H][HCO 2 B(C 6 F 5 ) 3 ] ( 7 ). Species 8 reacts with HSiEt 3 to yield [PhN i PrC(OSiEt 3 )OB(C 6 F 5 ) 3 ] ( 11 ). The adduct 2 also reacts with ethene, 2,4-hexadiyne, and the alkynes HC≡CR (R = n -Bu, Ph, t Bu, SiMe 3 ) to give the 1,2- addition products PhCH 2 NMe 2 CH 2 CH 2 B(C 6 F 5 ) 3 ( 12 ), PhCH 2 NMe 2 C(CCMe)=CMeB(C 6 F 5 ) 3 ( 13 ), and the ammonium alkynylborate salts [PhCH 2 NMe 2 H][RCCB(C 6 F 5 ) 3 ] (R = n -Bu ( 14a ), Ph ( 14b ), t Bu ( 14c ), SiMe 3 ( 14d )). In contrast, the reaction of 1-hexyne with the Lewis pair PhNMe 2 and B(C 6 F 5 ) 3 affords the trans-1,2-addition product PhNMe 2 C(C 4 H 9 )=CH(B(C 6 F 5 ) 3 ) ( 15 ). This chemistry demonstrates the generality of such FLP chemistry, extending it to N-based Lewis bases and thereby expanding the scope for applications of FLP chemistry.

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.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
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 score0.019
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0010.001

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 head0.013
GPT teacher head0.220
Teacher spread0.207 · 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