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Record W2318748411 · doi:10.1139/cjp-2013-0195

Solvent effect on the dipole moments and photo physical behaviour of 2,5-di-(5-tert-butyl-2-benzoxazolyl) thiophene dye

2013· article· en· W2318748411 on OpenAlexvenueno aff
Jagadish S. Kadadevarmath, G.H. Malimath, N.R. Patil, H.S. Geethanjali, Raveendra Melavanki

Bibliographic record

VenueCanadian Journal of Physics · 2013
Typearticle
Languageen
FieldChemistry
TopicPhotochemistry and Electron Transfer Studies
Canadian institutionsnot available
Fundersnot available
KeywordsSolvatochromismThiopheneExcited stateDipoleSolvent effectsDielectricPhysicsSolventPhysical chemistryAnalytical Chemistry (journal)Atomic physicsMoleculeChemistryOrganic chemistryQuantum mechanics

Abstract

fetched live from OpenAlex

The absorption and emission spectra of fluorescent thiophene dye, namely, 2,5-di-(5-tert-butyl-2-benzoxazolyl) thiophene, have been recorded at room temperature in solvents of different polarities. The excited state dipole moments (μ e ) were estimated from Lippert’s, Bakhshiev’s, and Kawski–Chamma–Viallet’s equations using the variation of Stoke’s shift with the solvent dielectric constant and refractive index. The optimized geometry of the molecule and μ g were calculated theoretically by Gaussian 03 software using B3LYP/6-31g* level of theory. The μ g and μ e were calculated by means of solvatochromic shift method and μ e was determined in combination with μ g . It was observed that μ e were higher than those of the μ g , indicating a substantial redistribution of the π-electron densities in a more polar excited state for the selected thiophene dye. Further, the change in the dipole moment (Δμ) was calculated both from solvatochromic shift method and on the basis of microscopic empirical solvent polarity parameter [Formula: see text] and values are compared.

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 score0.008
Threshold uncertainty score0.618

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 head0.009
GPT teacher head0.214
Teacher spread0.205 · 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

Citations24
Published2013
Admission routes1
Has abstractyes

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