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Record W2316144295 · doi:10.1021/acs.organomet.5b00006

Al Atom Activation of C–S Bonds: Characterization of the Aluminathietane Formed in the Reaction of Al Atoms with 1,2-Butylene Sulfide

2015· article· en· W2316144295 on OpenAlexafffund
François K. Desmarais, Helen A. Joly

Bibliographic record

VenueOrganometallics · 2015
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsLaurentian University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryElectron paramagnetic resonanceMatrix isolationParamagnetismSulfideDensity functional theoryAtom (system on chip)Physical chemistryPhotochemistryCrystallographyInfrared spectroscopyComputational chemistryNuclear magnetic resonanceOrganic chemistry

Abstract

fetched live from OpenAlex

Aluminum atoms were reacted with 1,2-butylene sulfide under matrix isolation conditions in a metal atom reactor known as a “rotating cryostat”. The resulting paramagnetic products were characterized using electron paramagnetic resonance (EPR) spectroscopy. The effect of isotopic substitution and temperature on the spectral lines of the paramagnetic products helped in the identification of the species formed in the reaction. The results suggest that Al atoms favor insertion into the C 1 –S bond, forming primarily 4-ethyl-2-aluminathietane. Support for the spectral assignments was obtained by comparing the experimental magnetic parameters with those calculated using density functional theory. As the reaction mixture was annealed in the cavity of the EPR spectrometer, the cis -methallyl radical was detected. Aluminum is thought to mediate the desulfurization of 1,2-butylene sulfide.

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 score0.001
Threshold uncertainty score0.004

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)0.0010.000

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 head0.013
GPT teacher head0.235
Teacher spread0.222 · 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

Citations2
Published2015
Admission routes2
Has abstractyes

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