{"id":"W3214046683","doi":"10.1021/acs.inorgchem.1c02925","title":"Extensive Redox Non-Innocence in Iron Bipyridine-Diimine Complexes: a Combined Spectroscopic and Computational Study","year":2021,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Australian Research Council; Ministry of Energy, Israel; Azrieli Foundation; Council for Higher Education; Eidgenössische Technische Hochschule Zürich","keywords":"Chemistry; Redox; Diimine; Electron transfer; Electron paramagnetic resonance; Metal; Ligand (biochemistry); Mössbauer spectroscopy; Bipyridine; Crystallography; Photochemistry; Non-innocent ligand; Catalysis; Inorganic chemistry; Crystal structure; Organic chemistry; Nuclear magnetic resonance","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004654218,0.0004960527,0.0007277053,0.0002169452,0.0006043216,0.0007036914,0.0009744514,0.0005174502,0.002569048],"category_scores_gemma":[0.0006705269,0.0002821481,0.0002441697,0.0003714387,0.0003282289,0.0006950881,0.0004253813,0.0005789842,0.0001633807],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007393795,"about_ca_system_score_gemma":0.0005253845,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003473877,"about_ca_topic_score_gemma":0.007647698,"domain_scores_codex":[0.999903,0.00001645356,0.000004601742,0.00001531058,0.00003155842,0.00002908515],"domain_scores_gemma":[0.9998134,0.00009414247,0.00001984124,0.0000310656,0.00002824808,0.00001336357],"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":[0.001291843,0.001154261,0.008980922,0.002429445,0.0002824169,0.001194936,0.0006073444,0.7801422,0.09425934,0.05700764,0.004053153,0.04859653],"study_design_scores_gemma":[0.0002273127,0.0007667955,0.004550882,0.00006025617,0.0000980242,0.000134002,0.0003392661,0.9387996,0.04734841,0.004377874,0.003255478,0.00004218807],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9896981,0.0003582201,0.003023361,0.0001168303,0.0000120622,0.00002376306,0.0002185371,0.00009376314,0.006455337],"genre_scores_gemma":[0.9973385,0.0002451316,0.001669918,0.00002658221,0.00000311254,0.00002635968,0.000269627,0.00002491043,0.0003957841],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003473877,"threshold_uncertainty_score":0.008594334,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01156213710932345,"score_gpt":0.2484036889132441,"score_spread":0.2368415518039206,"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."}}