{"id":"W1841584369","doi":"10.1139/cjc-2015-0347","title":"A structure-property study toward π-extended phosphole chromophores with ambipolar redox properties","year":2015,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Synthesis and characterization of novel inorganic/organometallic compounds","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Alberta Innovates; Alberta Innovates - Technology Futures","keywords":"Chemistry; Redox; Chromophore; Phosphole; Biphenyl; Ambipolar diffusion; Density functional theory; Luminescence; Photochemistry; Time-dependent density functional theory; Solid-state; Coupling reaction; Combinatorial chemistry; Computational chemistry; Inorganic chemistry; Stereochemistry; Physical chemistry; Organic chemistry; Catalysis","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":true,"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":[0.00007564593,0.0001569943,0.000102028,0.00009696975,0.0000928199,0.0002370915,0.0001622043,0.0001670958,0.001130693],"category_scores_gemma":[0.0001284937,0.00009874747,0.00009776228,0.0000992337,0.00014289,0.0002529469,0.0001316146,0.0002783609,0.000174734],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001439548,"about_ca_system_score_gemma":0.0000837374,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003075636,"about_ca_topic_score_gemma":0.0004707234,"domain_scores_codex":[0.9999641,0.000003656345,0.000001746031,0.000009837039,0.00001150311,0.000009123562],"domain_scores_gemma":[0.9999543,0.00001164053,0.00001538545,0.000004982563,0.000007389513,0.000006225051],"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":[0.00002992851,0.00001978214,0.00009351507,0.00003778026,0.000003102518,0.00005600627,0.00002177464,0.0004744895,0.9975252,0.0002660627,0.00001496936,0.001457437],"study_design_scores_gemma":[0.000008936061,0.0003653095,0.001178901,0.000003197682,0.000008557644,0.0001383757,0.00002421813,0.002779045,0.9941875,0.0001051159,0.001195212,0.000005724678],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967829,0.0003471282,0.001566194,0.00002540566,0.000002328704,0.000009001948,0.00005505198,0.00002195623,0.001189893],"genre_scores_gemma":[0.9976834,0.0003496291,0.001306533,0.00001312217,0.000002135332,0.000006667895,0.00007135468,0.000004855792,0.0005623393],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001130693,"threshold_uncertainty_score":0.00378257,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02461748701040378,"score_gpt":0.2006134907265842,"score_spread":0.1759960037161804,"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."}}