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Record W4361269627 · doi:10.1002/ijch.202300037

A High‐Valent Ru−PCP Pincer Catalyst for the Hydrogenation of Organic Carbonates

2023· article· en· W4361269627 on OpenAlex
Shrouq Mujahed, Maria S. Richter, Evgueni Kirillov, Evamarie Hey‐Hawkins, Dmitri Gelman

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.

fundA Canadian funder is recorded on the work.
no affNo Canadian affiliation: this work is invisible to an affiliation-only frame.
No Canadian affiliation. An affiliation-only frame, the usual design, would never have seen this work. It is one of the works that make the case for inverting the frame.

Bibliographic record

VenueIsrael Journal of Chemistry · 2023
Typearticle
Languageen
FieldChemical Engineering
TopicCarbon dioxide utilization in catalysis
Canadian institutionsnot available
FundersInstitute of Circulatory and Respiratory HealthDeutscher Akademischer AustauschdienstIsrael Science FoundationNeubauer Family Foundation
KeywordsChemistryHeterolysisCatalysisBifunctionalPincer movementPincer ligandRutheniumLigand (biochemistry)HomolysisPhotochemistryMedicinal chemistryChemoselectivityOrganic chemistryRadical

Abstract

fetched live from OpenAlex

Abstract In this communication, we report on the successful application of a high‐valent Ru IV bifunctional catalyst ( 1 ) for mild hydrogenation of cyclic and acyclic carbonates. Our experimental and theoretical studies suggest that the hydrogenation mechanism is operated by an unusual formally zwitterionic Ru IV complex. According to our hypothesis, the positively charged high‐valent metal center is responsible for stronger hydrogen coordination. On the other hand, the proximate negatively charged ligand site facilitates heterolytic H 2 bond activation, which leads to efficient catalysis.

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)0.000
metaresearch head score (Gemma)0.001
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 score0.003
Threshold uncertainty score0.434

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.011
GPT teacher head0.239
Teacher spread0.229 · 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