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Record W4388038424 · doi:10.1021/acs.organomet.3c00353

Protonolysis of BH<sub>4</sub><sup>–</sup> Leads to Intermediacy of BH<sub>3</sub>-σ(H<sub>2</sub>) That Evolves H<sub>2</sub> and Furnishes Borane as the Key Reducing Agent

2023· article· en· W4388038424 on OpenAlexafffund
Shrinwantu Pal

Bibliographic record

VenueOrganometallics · 2023
Typearticle
Languageen
FieldMaterials Science
TopicHydrogen Storage and Materials
Canadian institutionsBrandon University
FundersBrandon University
KeywordsChemistryProtonolysisHydrideBorohydrideBoraneIntramolecular forceComputational chemistryMedicinal chemistryHydrogenStereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Borohydride (BH 4 – ) is a ubiquitous reducing agent in chemistry despite its apparent inability to transfer hydride fragments without assistance. In protic solvents such as methanol, B–H protonolysis and H 2 evolution furnish borane, which serves as the key hydride delivery agent in the reduction of cyclohexanone. Contrasting with widely accepted but inaccessible mechanisms involving direct (intermolecular) hydride transfer from BH 4 –, in this work, DFT calculations performed in close conjunction with H/D exchange studies unambiguously justify the use of alcohol as a necessary evil that renders substantial kinetic advantages in intramolecular hydride transfer, albeit requiring excess BH 4 – to compensate for the protonolytic loss of available B–H fragments as H 2 .

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)0.003
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 categoriesMeta-epidemiology (narrow)
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 score0.013
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0030.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.003
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0020.002
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0000.002

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 head0.019
GPT teacher head0.243
Teacher spread0.224 · 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; both teacher heads agree on what is shown here.

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

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