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Record W2790590472 · doi:10.1139/cjc-2017-0207

Radical addition to ruthenocene at low temperatures: characterization of ruthenocenyl radicals by <i>μ</i>SR spectroscopy

2018· article· en· W2790590472 on OpenAlexaffvenue
Iain McKenzie

Bibliographic record

VenueCanadian Journal of Chemistry · 2018
Typearticle
Languageen
FieldEngineering
TopicMuon and positron interactions and applications
Canadian institutionsSimon Fraser UniversityTRIUMF
Fundersnot available
KeywordsChemistryMuoniumRuthenoceneRadicalMuon spin spectroscopyHyperfine structureSpectroscopyMuonElectron paramagnetic resonancePhysical chemistryComputational chemistryPhotochemistryAtomic physicsNuclear magnetic resonanceFerroceneOrganic chemistry

Abstract

fetched live from OpenAlex

The radicals formed by muonium (Mu) addition to ruthenocene at low temperature (4–200 K) have been characterized by transverse field muon spin rotation (TF-μSR) and avoided level crossing muon spin resonance (ALC-μSR) spectroscopy. The structures of the muoniated radicals have been identified by comparing the experimentally measured muon hyperfine coupling constants with values obtained from DFT calculations (UB3LYP/DGDZVP). Mu addition was observed at the ruthenium and at the cyclopentadiene (Cp) rings, both from the exterior and interior directions. Closer agreement between the DFT calculations and the experimental values are obtained if it is assumed the structures of the Mu adducts of the Cp rings are distorted due to interactions with neighbouring molecules. Changes in the ALC-μSR spectra with temperature indicated that the electron spin relaxation rate of the Cp adducts increases with temperature; however, the specific spin relaxation mechanism is unknown.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.116
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

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)0.0030.000

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 head0.003
GPT teacher head0.197
Teacher spread0.194 · 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 teacher head, not a consensus.

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
Published2018
Admission routes2
Has abstractyes

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