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Record W4360815440 · doi:10.1021/jacs.3c01887

Diazene Chemistry: Metal-Free Models of N<sub>2</sub> Reduction Intermediates

2023· article· en· W4360815440 on OpenAlexaff
Zahid Hussain, Yong-an Luo, Yile Wu, Zheng‐Wang Qu, Stefan Grimme, Douglas W. Stephan

Bibliographic record

VenueJournal of the American Chemical Society · 2023
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsUniversity of Toronto
FundersNatural Science Foundation of NingboNingbo UniversityDeutsche Forschungsgemeinschaft
KeywordsChemistryAdductSteric effectsBoraneHydrazine (antidepressant)MetalTransition metalNitrogenMedicinal chemistryStereochemistryPhotochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Interest in main group chemistry related to the Haber–Bosch process has drawn less attention than that of transition metal species. Herein, we show that the steric demands in ( t BuO 2 CN) 2 block initial interaction of B(C 6 F 5 ) 3 with nitrogen and prompt loss of methylpropene and CO 2 to diazene (N 2 H 2 ) borane adduct 1 and the analogous hydrazine (N 2 H 4 ) adduct 2 . These species react with basic phosphines to give anions of 3 and 5 containing N 2 H and N 2 H 3 fragments, respectively. While these species are not derived directly from N 2, they represent metal-free species containing N 2 H n ( n = 1–4) fragments, which model plausible intermediates in the reduction of N 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 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 score0.003
Threshold uncertainty score0.010

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 science0.0010.000
Research integrity0.0010.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.010
GPT teacher head0.226
Teacher spread0.216 · 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

Citations29
Published2023
Admission routes1
Has abstractyes

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Same venueJournal of the American Chemical SocietySame topicOrganoboron and organosilicon chemistryFrench-language works237,207