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Record W2062109710 · doi:10.1021/jp047037g

Spectroscopic Study of Phosphine-Substituted Oligothiophenes

2004· article· en· W2062109710 on OpenAlexaff
Tracey L. Stott, Michael O. Wolf

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2004
Typearticle
Languageen
FieldMaterials Science
TopicLuminescence and Fluorescent Materials
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsStokes shiftOligomerExcited stateChemistryDensity functional theoryEmission spectrumPhosphineAbsorption spectroscopyLone pairAbsorption (acoustics)Spectral lineExcitationTime-dependent density functional theoryBlueshiftCrystallographyPhotochemistryComputational chemistryMaterials scienceMoleculeAtomic physicsLuminescencePhotoluminescencePhysicsOrganic chemistryOptics

Abstract

fetched live from OpenAlex

The spectroscopic behavior (solution and solid-state absorption and emission) of a series of mono-(diphenylphosphino) and bis-(diphenylphosphino) α-substituted oligothiophenes varying in length from one to three thienyl rings is described. The absorption spectra red-shift with increasing oligomer length, and the spectra of the bisphosphines are red-shifted, relative to the monophosphines that contain the same number of thienyl groups. In solution, emission from the mono- and bithienyl compounds is broad and shows a large Stokes shift, attributed to a planar excited state due to the n →π* nature of the excitation. Emission from the terthienyl compounds shows a much smaller Stokes shift and is attributed to a thienyl-based π→π* transition. In the solid state, similar effects are observed in both absorption and emission spectra. Density functional theory (DFT) calculations show that the contribution of the P lone pair to the highest occupied molecular orbital (HOMO) diminishes as the oligomer length increases, supporting the experimental results.

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 score0.001
Threshold uncertainty score0.278

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 head0.010
GPT teacher head0.254
Teacher spread0.243 · 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

Citations45
Published2004
Admission routes1
Has abstractyes

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