{"id":"W4387167629","doi":"10.1021/acs.jpca.3c04903","title":"Isomer-Specific Solvatochromic and Molecular Rotor Properties of ESIPT-Active Push–Pull Fluorescent Chalcone Dyes","year":2023,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Solvatochromism; Stokes shift; Photochemistry; Chemistry; Intramolecular force; Tautomer; Fluorescence; Hydrogen bond; Excited state; Solvent; Moiety; Ground state; Chromophore; Molecule; Stereochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007423641,0.0002217606,0.00008306466,0.0000794974,0.00006765415,0.0001418499,0.0001371694,0.0001409851,0.0009283035],"category_scores_gemma":[0.0001178956,0.00007255012,0.00008136221,0.0001255085,0.0001436981,0.0001876725,0.00008978253,0.0002607064,0.0001804627],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001847703,"about_ca_system_score_gemma":0.00008393102,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004219496,"about_ca_topic_score_gemma":0.0007827992,"domain_scores_codex":[0.9999446,0.00000697078,0.000004499087,0.00001259521,0.00001502084,0.00001633629],"domain_scores_gemma":[0.9999191,0.00001501574,0.00002925133,0.000006471146,0.00001362162,0.00001666131],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00002769448,0.000004336734,0.00006535566,0.000009862319,9.609225e-7,0.0000122177,0.00001164228,0.00004277603,0.999254,0.00004189877,0.00001342777,0.000515848],"study_design_scores_gemma":[0.000002106856,0.00004748818,0.0008546344,6.689642e-7,0.000001693774,0.00002203189,0.00001047928,0.0003694086,0.9985037,0.000007375557,0.0001781222,0.000002414967],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978591,0.0001202099,0.001235777,0.00002474976,0.000003379746,0.000004973015,0.00009408193,0.00002907823,0.0006286956],"genre_scores_gemma":[0.9976739,0.0001332604,0.001008944,0.00002120986,0.000001726193,0.00001040128,0.0001609426,0.00001436792,0.0009751599],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009283035,"threshold_uncertainty_score":0.003105521,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01520259499450531,"score_gpt":0.2251666851041896,"score_spread":0.2099640901096843,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}