{"id":"W2724230796","doi":"10.1021/acs.organomet.7b00344","title":"Experimental and Computational Evidence for 1,4-Diradical Intermediates in Reactions of Cobalt Fluorocarbene Complexes with Terminal Aryl-alkynes to give Metallacyclobutenes","year":2017,"lang":"en","type":"article","venue":"Organometallics","topic":"Fluorine in Organic Chemistry","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Ontario Ministry of Economic Development and Innovation","keywords":"Diradical; Chemistry; Cobalt; Cycloaddition; Cyclopentadienyl complex; Reactivity (psychology); Aryl; Nuclear magnetic resonance spectroscopy; Molecule; Reactive intermediate; Stereochemistry; Medicinal chemistry; Computational chemistry; Photochemistry; Catalysis; 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":[0.0002830126,0.0005524002,0.0005230837,0.0004430128,0.0006012577,0.0007698987,0.0008031119,0.0006647678,0.007829245],"category_scores_gemma":[0.00061512,0.0002970638,0.0002823023,0.0002428656,0.0003908045,0.0005706898,0.0002880498,0.0003758678,0.0003428671],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001046681,"about_ca_system_score_gemma":0.000885483,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004321299,"about_ca_topic_score_gemma":0.007992375,"domain_scores_codex":[0.9998732,0.00002186623,0.000005695895,0.00001519802,0.00003553982,0.00004855809],"domain_scores_gemma":[0.9997564,0.0001321241,0.00004386036,0.00001935015,0.00003138459,0.00001689007],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.002048782,0.0008502767,0.01301359,0.001896861,0.0001331949,0.002720449,0.0007563765,0.737146,0.1207169,0.0969189,0.003041359,0.0207573],"study_design_scores_gemma":[0.0003681435,0.000741378,0.005111748,0.00009086295,0.0001358015,0.0003832155,0.0005634464,0.8945342,0.08533882,0.008845548,0.003818364,0.00006844373],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9676251,0.0003565134,0.005605452,0.0001982255,0.00002229639,0.00004922478,0.0006308492,0.0001755826,0.02533688],"genre_scores_gemma":[0.9970791,0.0001435585,0.001818991,0.0000135433,0.000002508023,0.00002546425,0.0002279935,0.00002260642,0.0006662065],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007829245,"threshold_uncertainty_score":0.02619147,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1527637776397678,"score_gpt":0.4595862136357636,"score_spread":0.3068224359959959,"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."}}