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Record W2953104425 · doi:10.1255/ejms.1163

Catalysis in Hydrogen-Bridged Radical Cations

2012· article· en· W2953104425 on OpenAlexaff
Karl J. Jobst, Moschoula A. Trikoupis

Bibliographic record

VenueEuropean Journal of Mass Spectrometry · 2012
Typearticle
Languageen
FieldChemical Engineering
TopicCatalysis and Oxidation Reactions
Canadian institutionsMinistry of the Environment, Conservation and Parks
Fundersnot available
KeywordsCatalysisChemistryHydrogenInorganic chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Hydrogen-bridged radical cations (HBRCs) are an intriguing subclass of ion-molecule complexes. They may act as key intermediates of remarkable stability in both association and dissociation reactions of heteroatom-containing molecular ions. The H-bridge of such an HBRC can promote isomerization of its ionic component by H-transfer. Proton-transport catalysis (PTC) is a prime example. Here, a neutral molecule promotes the smooth transformation of an ion into its H-shift isomer by consecutive proton-transfer reactions. A celebrated case is the water catalyzed isomerization of CH(3)OH(•+) into its more stable distonic isomer (•)CH(2)OH(2)(+). Other early studies of PTC also deal with catalyzing 1,2-H shifts in association reactions. This short review focuses on more recent combined experimental and computational studies of catalysis in HBRCs. Mechanisms involving both proton and H atom transfers have been proposed for a variety of systems of H-shift isomers. It has also become clear that PTC is not confined to bimolecular reactions. It also features in the unimolecular chemistry of heteroatom- containing ions, which have a tendency to isomerize to HBRCs en route to their dissociation.

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)0.001
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.002
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.012
GPT teacher head0.229
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

Citations4
Published2012
Admission routes1
Has abstractyes

Explore more

Same venueEuropean Journal of Mass SpectrometrySame topicCatalysis and Oxidation ReactionsFrench-language works237,207