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Record W2885367767 · doi:10.1021/acs.chemmater.8b02821

Thermochromic Solid-State Emission of Dipyridyl Sulfoxide Cu(I) Complexes

2018· article· en· W2885367767 on OpenAlexafffund
Christopher M. Brown, Veronica Carta, Michael O. Wolf

Bibliographic record

VenueChemistry of Materials · 2018
Typearticle
Languageen
FieldEngineering
TopicOrganic Light-Emitting Diodes Research
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsThermochromismBathochromic shiftCopperPhotochemistryLuminescenceCoordination geometryCrystallographyDiimineExcited stateMaterials scienceChemistryFluorescenceMoleculeOrganic chemistryOpticsAtomic physicsOptoelectronics

Abstract

fetched live from OpenAlex

Copper(I) complexes (Cu-DPSO and Cu-Me-DPSO) utilizing sulfoxide-bridged dipyridyl ligands are reported. Cu-DPSO demonstrates photophysical properties typical with [Cu(disphosphine)(diimine)]+ complexes, however with additional steric bulk in the 6- and 6′-positions of the diimine ligand to give complex Cu-Me-DPSO; the photophysics are greatly altered. This species is isolated as an amorphous powder (a-Cu-Me-DPSO) which emits yellow light; upon heating to 180 °C, a crystalline powder is formed (c-Cu-Me-DPSO) which shows a large bathochromic shift (>100 nm) in emission, and shows orange luminescence attributed to a flattening distortion of the complex away from a tetrahedral geometry. On cooling to −196 °C, c-Cu-Me-DPSO displays a reversible thermochromic solid-state emission, from orange at room temperature to yellow at low temperatures. Using solid-state variable temperature excitation and absorption data, this phenomenon is attributed to a change in coordination geometry about the copper atom in the excited state. At low temperatures, a pseudo-tetrahedral geometry is preferred, giving higher energy emission, whereas, at higher temperatures, a flattened geometry dominates, giving a lower energy emission under UV irradiation. This is a unique example of a monometallic copper(I) complex capable of reversible thermochromic emission in the solid state, and highlights the impact that subtle ligand tuning plays on the photophysical properties. Previous copper(I) thermochromic materials were limited to copper halide clusters, and this study opens new avenues toward highly functionalized, thermal stimuli-responsive materials.

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 score0.002
Threshold uncertainty score0.999

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)0.0020.000

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 head0.013
GPT teacher head0.263
Teacher spread0.250 · 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

Citations54
Published2018
Admission routes2
Has abstractyes

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