{"id":"W1996967267","doi":"10.1002/1522-2675(20000705)83:7<1484::aid-hlca1484>3.0.co;2-1","title":"Donor-Acceptor-Functionalized Tetraethynylethenes with Nitrothienyl Substituents: Structure-Property Relationships","year":2000,"lang":"en","type":"article","venue":"Helvetica Chimica Acta","topic":"Luminescence and Fluorescent Materials","field":"Materials Science","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Intramolecular force; Acceptor; Sonogashira coupling; HOMO/LUMO; Nitro; Conjugated system; Chromophore; Crystallography; Aryl; Hydrogen bond; Crystal structure; Steric effects; Ferrocene; Stereochemistry; Photochemistry; Electrochemistry; Palladium; Molecule; Catalysis; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.0003380552,0.0003795037,0.0004047829,0.0001072649,0.0005107631,0.0003017556,0.0005238454,0.0001958774,0.07124022],"category_scores_gemma":[0.0001326995,0.0002275593,0.00008123225,0.0002632137,0.000434414,0.0006034648,0.00005437511,0.0002705277,0.001323713],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000723708,"about_ca_system_score_gemma":0.0001162947,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006466154,"about_ca_topic_score_gemma":0.00004045056,"domain_scores_codex":[0.9973779,0.0002738287,0.0005029879,0.0006747023,0.000577489,0.0005931029],"domain_scores_gemma":[0.9986962,0.0001322903,0.0001347101,0.0006775274,0.0001351027,0.0002241732],"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":[0.0006937243,0.000131575,0.002816273,0.00004552133,0.00002266501,0.000006825718,0.0003562591,0.00001056637,0.993049,0.0003059865,0.002291923,0.0002696767],"study_design_scores_gemma":[0.00408464,0.0004203475,0.03941226,0.0003176408,0.0002527166,0.0002889701,0.0002856585,0.0001452761,0.7921969,0.001779196,0.1590575,0.001758917],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9932572,0.00003457793,0.00002939861,0.001082776,0.000472862,0.0004770659,0.0001245353,0.00028729,0.004234295],"genre_scores_gemma":[0.9928047,0.0000713572,0.00341719,0.00045721,0.0003966633,0.00008068154,0.00009219873,0.00005792678,0.002622041],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2008521,"threshold_uncertainty_score":0.9994538,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01838470038705154,"score_gpt":0.2226261069833838,"score_spread":0.2042414065963323,"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."}}