{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001246345,0.0002555602,0.0001431554,0.00006292154,0.0001947494,0.0003258671,0.0002900624,0.0002160485,0.002285579],"category_scores_gemma":[0.0001557355,0.0001424118,0.00007838495,0.00006209252,0.0002640885,0.0003646102,0.0004740956,0.0004916401,0.0004748187],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003317306,"about_ca_system_score_gemma":0.0002593241,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005157507,"about_ca_topic_score_gemma":0.001171006,"domain_scores_codex":[0.9998853,0.00001294999,0.000006170682,0.00002536761,0.00003008362,0.00004012685],"domain_scores_gemma":[0.9999516,0.000007796185,0.00001065265,0.0000084979,0.000007315336,0.00001422653],"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":[0.0001663516,0.00002524392,0.0002773054,0.0001659914,0.0000125143,0.000205784,0.0002014957,0.0002728437,0.9916432,0.003371207,0.000282482,0.003375569],"study_design_scores_gemma":[0.00001680507,0.0001739252,0.0004976697,0.000005327909,0.000006660268,0.0001903493,0.00004955506,0.0005928923,0.9930547,0.0002148093,0.005189148,0.000008185546],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9803329,0.0004826121,0.005296433,0.000180295,0.00002867357,0.00004043633,0.00007451338,0.0001176603,0.01344642],"genre_scores_gemma":[0.996769,0.0001870569,0.001213562,0.00002659159,0.00000514771,0.000009468928,0.00005341744,0.0000155743,0.001720177],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002285579,"threshold_uncertainty_score":0.007645965,"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."}}