{"id":"W2474431700","doi":"10.1021/acs.orglett.6b01559","title":"Aromatization of Benzannulated Perylene-3,9-diones: Unexpected Photophysical Properties and Reactivity","year":2016,"lang":"en","type":"article","venue":"Organic Letters","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds Québécois de la Recherche sur la Nature et les Technologies","keywords":"Chemistry; Perylene; Aromatization; Acene; Photochemistry; Reactivity (psychology); Absorption (acoustics); Benzene; Stokes shift; Quinone; Molecule; Computational chemistry; Stereochemistry; Fluorescence; Organic chemistry; Catalysis","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00005926473,0.0001441437,0.0002309137,0.00003429762,0.00006234102,0.00002214421,0.0001246005,0.00006040641,0.0004435919],"category_scores_gemma":[0.0001357467,0.00008864984,0.00004448084,0.00008125341,0.0001237516,0.000172985,0.00005768342,0.00005036753,0.00001419276],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004934717,"about_ca_system_score_gemma":0.00002183614,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004614512,"about_ca_topic_score_gemma":0.000004235152,"domain_scores_codex":[0.9991773,0.00002845938,0.0002345258,0.0002199904,0.0001848575,0.0001548426],"domain_scores_gemma":[0.9994102,0.0001028681,0.0001196107,0.0002843188,0.00003834573,0.00004473337],"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":[0.00004375631,0.00005688069,0.001573031,0.00006954507,0.00004634989,0.000001456697,0.0005942776,2.58253e-7,0.993162,0.00001056923,0.0001998104,0.004242015],"study_design_scores_gemma":[0.000393798,0.00001901578,0.002564099,0.000239746,0.00002579414,0.000009685943,0.0001331116,0.00007840012,0.9961696,0.00004399223,0.0001670622,0.0001556674],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969346,0.00006281114,0.00008289139,0.00247318,0.00003401817,0.00005529619,0.000003633131,0.00008740369,0.0002661955],"genre_scores_gemma":[0.9996071,0.00002393593,0.00009142647,0.00008925972,0.00006737823,0.000008233535,0.000002580999,0.00002624077,0.00008387626],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004086347,"threshold_uncertainty_score":0.485702,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01511897422353829,"score_gpt":0.1819561216165679,"score_spread":0.1668371473930296,"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."}}