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Record W2039986337 · doi:10.1002/qua.10759

Synthesis, structure, and physical properties of a new phenalenyl‐based neutral radical crystal: Correlation between structure and transport properties in carbon‐based molecular conductors

2003· article· en· W2039986337 on OpenAlexaff
X. Chi, M.E. Itkis, F.S. Tham, Richard T. Oakley, A. W. Cordes, Robert C. Haddon

Bibliographic record

VenueInternational Journal of Quantum Chemistry · 2003
Typearticle
Languageen
FieldMaterials Science
TopicOrganic and Molecular Conductors Research
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsChemistryRadicalvan der Waals forceMoleculeChemical physicsMolecular solidConductivityMagnetismCarbon fibersCrystal structureComputational chemistryPhysical chemistryCrystallographyOrganic chemistryCondensed matter physicsMaterials science

Abstract

fetched live from OpenAlex

Abstract A new class of phenalenyl‐based neutral radical molecular conductors has recently been reported; a distinctive feature of these molecular solids is the absence of the well‐defined conducting pathway(s) that are characteristic of the organic charge‐transfer salts. These radicals do not stack in the solid state, and the requisite carbon–carbon contacts are all larger than the sum of the van der Waals distances. Magnetic susceptibility measurements show that these compounds usually exist as isolated free radicals with one spin per molecule (at least over some temperature range), apparently supporting the idea that there is little interaction between the molecules in the solid state. Nevertheless, these radicals show the highest conductivity (σ RT = 0.05 S/cm) of any neutral organic solid and the conduction mechanism is at present unresolved. In this article we report a structurally related radical with a resistivity five orders of magnitude higher than that of the previously reported radicals. We analyze the crystallographic and electronic structure of this solid in detail and point out some of the challenges that remain in relating structure, magnetism, and conductivity in this new class of organic solids. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003

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 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 score0.006
Threshold uncertainty score0.552

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)0.0000.000

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 head0.025
GPT teacher head0.258
Teacher spread0.233 · 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.

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

Citations23
Published2003
Admission routes1
Has abstractyes

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