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Record W2329834998 · doi:10.1021/om500138f

Reactivity and Electronic Properties of a Ferrocene Molecule Bearing an N,C-Chelated BMes<sub>2</sub> Unit

2014· article· en· W2329834998 on OpenAlexafffund
Yingli Rao, Tetsuro Kusamoto, Ryota Sakamoto, Hiroshi Nishihara, Suning Wang

Bibliographic record

VenueOrganometallics · 2014
Typearticle
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsQueen's University
FundersJapan Society for the Promotion of ScienceNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryFerroceneDelocalized electronReactivity (psychology)Dissociation (chemistry)MoleculeElectron paramagnetic resonanceMedicinal chemistryCrystallographyBoronPhotochemistryInorganic chemistryStereochemistryOrganic chemistryElectrochemistryNuclear magnetic resonancePhysical chemistry

Abstract

fetched live from OpenAlex

A dimesitylboron-functionalized benzimidazolylferrocene, B(2-ferrocenyl- N -Me-benzimidazolyl)Mes 2 ( 1 ), has been synthesized and fully characterized. The B–N bond in 1 was found to undergo a dynamic dissociation/association process in solution, leading to a dynamic exchange of the two mesityls bound to the boron atom and slow hydrolysis of 1 under ambient conditions. The hydrolyzed product 2-BMes(OH)-1-( N -methylbenzimidazol-2-yl)ferrocene ( 2 ) was isolated and characterized, in which the boron center has a trigonal-planar geometry with one of the mesityls being replaced by an OH – group. The photoisomerization process of the boron unit in 1 was fully inhibited by the low lying d–d/MLCT states of the ferrocene unit. Compound 1 can be oxidized readily by I 2, forming the ferrocenium species [1 + ]I 3 - ( 3 ). NMR and EPR data for 3 indicated a notable spin delocalization through space from the Fe(III) center to a flanking mesityl group.

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 score0.008
Threshold uncertainty score0.611

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.008
GPT teacher head0.176
Teacher spread0.168 · 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

Citations27
Published2014
Admission routes2
Has abstractyes

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