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Record W2057532082 · doi:10.1021/jo7014449

Probing Electronic Communication in Stable Benzene-Bridged Verdazyl Diradicals

2007· article· en· W2057532082 on OpenAlexaff
Joe B. Gilroy, Steve D. J. McKinnon, Pierre Kennepohl, M.S. Zsombor, Michael J. Ferguson, Laurence K. Thompson, Robin G. Hicks

Bibliographic record

VenueThe Journal of Organic Chemistry · 2007
Typearticle
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsUniversity of VictoriaUniversity of AlbertaUniversity of British ColumbiaMemorial University of Newfoundland
Fundersnot available
KeywordsBenzenePhotochemistryChemistryMaterials scienceOrganic chemistry

Abstract

fetched live from OpenAlex

Two benzene-bridged N,N'-bis(isopropyl)6-oxoverdazyl diradicals 7a (1,4-benzene-bridged) and 7b (1,3-benzene-bridged) were prepared and studied by an array of physicochemical techniques aimed at elucidating the intramolecular electronic and magnetic coupling between verdazyl chromophores. The very high stability of these diradicals permits comprehensive investigations of their properties for the first time. The UV-vis spectra suggest negligible direct conjugative overlap involving the radical SOMOs, although significant differences in higher energy absorptions suggest that radical orbitals other than the SOMO are likely communicating via the central p-phenylene bridge in 7a. The electrochemical features of the two diradicals are nearly identical; in each derivative, both radicals are oxidized essentially independently while the reductions occur in a stepwise manner with differences of approximately 100 mV between the two reductions. EPR and magnetic susceptibility collectively indicate that the para-bridged diradical is weakly antiferromagnetically coupled while the meta analogue is weakly ferromagnetically coupled, in accord with the topology of the substitution pattern on the central benzene ring.

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 score0.001
Threshold uncertainty score0.004

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.192
Teacher spread0.188 · 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

Citations86
Published2007
Admission routes1
Has abstractyes

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