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Record W2043125279 · doi:10.1021/jp0446175

Multidisciplinary Physicochemical Analysis of Oligothiophenes End-Capped by Nitriles:  Electrochemistry, UV−Vis−Near-IR, IR, and Raman Spectroscopies and Quantum Chemistry

2005· article· en· W2043125279 on OpenAlex

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.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2005
Typearticle
Languageen
FieldMaterials Science
TopicNonlinear Optical Materials Research
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsRaman spectroscopyChemistryCyclic voltammetryDimerFourier transform infrared spectroscopyDensity functional theoryElectrochemistryAnalytical Chemistry (journal)PhotochemistryPhysical chemistryComputational chemistryOrganic chemistryElectrode

Abstract

fetched live from OpenAlex

In this article, we investigate a series of alpha,omega-dicyano end-capped oligothiophenes NC(C(4)H(2)S)(n)()CN ranging in length from the dimer to the hexamer (n = 2-6), in the neutral state as pure solids, by means of Fourier transform IR and Fourier transform Raman (FT-Raman) spectroscopies. The cyclic voltammetry analysis of the compounds in dichloromethane reveals that most of them show two oxidation and two reduction waves (i.e., a dual or amphoteric electrochemical behavior), associated with the injection of either positive or negative charges into the pi-conjugated system. The doped species are characterized by in situ vis-near-IR and FT-Raman spectrochemistries. Density functional theory calculations have been also performed, at the B3LYP/6-31G level, to assess information about the molecular geometries and vibrational features of the neutral and doped species and about the topologies of the molecular orbitals involved in the main electronic transitions that appear for the neutral forms in the visible spectral region and for the doped species in the near-IR region.

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)0.000
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 score0.005
Threshold uncertainty score0.948

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.008
GPT teacher head0.283
Teacher spread0.275 · 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