{"id":"W2011099977","doi":"10.1021/ic4022195","title":"Synthesis of (TDAE)(O<sub>2</sub>SSO<sub>2</sub>)(s) and Discovery of (TDAE)(O<sub>2</sub>SSSSO<sub>2</sub>)(s) Containing the First Polythionite, [O<sub>2</sub>SSSSO<sub>2</sub>]<sup>2–</sup>","year":2013,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Crandall University; University of New Brunswick","funders":"","keywords":"Chemistry; Raman spectroscopy; Antibonding molecular orbital; Crystallography; Diradical; Dissociation (chemistry); Unpaired electron; Tetrathiafulvalene; Chalcogen; Electron; Molecule; Physical chemistry; Atomic orbital; Singlet state; 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":["metaepi_narrow","sts","scholarly_communication","research_integrity"],"consensus_categories":["metaepi_narrow","sts","research_integrity"],"category_scores_codex":[0.00246511,0.005411532,0.005466388,0.001401598,0.002839268,0.001685426,0.004683089,0.004280377,0.0003918041],"category_scores_gemma":[0.004050891,0.005578295,0.004008297,0.004291543,0.003845242,0.003150932,0.00317392,0.006533948,0.0004897814],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001815306,"about_ca_system_score_gemma":0.002023799,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003730125,"about_ca_topic_score_gemma":0.000534009,"domain_scores_codex":[0.9759279,0.0008548523,0.006918878,0.00634271,0.004324601,0.005631004],"domain_scores_gemma":[0.9776107,0.004841842,0.005239163,0.007534337,0.002379712,0.002394218],"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":[0.00121282,0.002503487,0.002787242,0.003509127,0.003825509,0.0004476265,0.002423222,0.0004773488,0.9637234,0.0001476803,0.006717192,0.0122254],"study_design_scores_gemma":[0.005341547,0.0004322244,0.001998086,0.003519415,0.002843193,0.001692914,0.005963099,0.0009058709,0.9697885,0.0007042193,0.001422738,0.00538822],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9838489,0.003813678,0.0004923502,0.001356596,0.001148914,0.00258776,0.002694206,0.001355368,0.002702171],"genre_scores_gemma":[0.98624,0.006145571,0.0001023305,0.001010161,0.002061231,0.001549543,0.001373428,0.001433238,0.00008445221],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006837177,"threshold_uncertainty_score":0.9993509,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005568898076096558,"score_gpt":0.1938675142275878,"score_spread":0.1882986161514912,"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."}}