{"id":"W3201267602","doi":"10.33774/chemrxiv-2021-t8p0f","title":"Lewis Acid-Promoted Oxidative Addition at a [Ni0(diphosphine)2] Complex: The Critical Role of a Secondary Coordination Sphere","year":2021,"lang":"en","type":"preprint","venue":"","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Natural Sciences and Engineering Research Council of Canada; Carnegie Trust for the Universities of Scotland; Council of Ontario Universities; Compute Canada; University of Windsor; University of Strathclyde","keywords":"Chemistry; Coordination sphere; Reactivity (psychology); Oxidative addition; Lewis acids and bases; Borane; Frustrated Lewis pair; Medicinal chemistry; Iodobenzene; Adduct; Ligand (biochemistry); Catalysis; Hydride; Context (archaeology); Coordination complex; Stereochemistry; Crystallography; Organic chemistry; Crystal structure; Metal","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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0004877332,0.0004485985,0.0006379664,0.00006810995,0.000218368,0.0001323843,0.0004614334,0.0005735577,0.1952631],"category_scores_gemma":[0.002103147,0.000395555,0.0003771397,0.0003202943,0.0003825789,0.0001546586,0.001354573,0.0008910089,0.00004892112],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000529875,"about_ca_system_score_gemma":0.0005479949,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003340881,"about_ca_topic_score_gemma":0.0002658485,"domain_scores_codex":[0.9970813,0.0001933451,0.0008463304,0.0008377452,0.0007478098,0.0002935088],"domain_scores_gemma":[0.9960549,0.001048795,0.0004663994,0.001070795,0.001235958,0.0001231194],"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":[0.0002214316,0.0005597404,0.0002749237,0.001736618,0.0007467518,0.00001841449,0.001733755,0.0003354643,0.9306598,0.01000235,0.0392777,0.0144331],"study_design_scores_gemma":[0.001098096,0.00003840178,0.001958963,0.0004926716,0.000446076,0.0001062124,0.004705716,0.02287031,0.9310387,0.01292004,0.02351024,0.000814575],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.3634376,0.004204961,0.2286492,0.01121874,0.002052591,0.001964508,0.01114818,0.001192561,0.3761316],"genre_scores_gemma":[0.9383292,0.00002968284,0.02194547,0.000390952,0.0004711713,0.0002867415,0.02609967,0.0001093703,0.01233772],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.5748916,"threshold_uncertainty_score":0.9998496,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02921570579258508,"score_gpt":0.3050633050809527,"score_spread":0.2758475992883676,"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."}}