{"id":"W4406466232","doi":"10.1021/acs.inorgchem.4c04563","title":"Nucleophilic and Electrophilic Molybdenum Terminal Oxo Complexes by Coordination-Induced Bond Weakening of Hydroxo O–H Bonds","year":2025,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Polyoxometalates: Synthesis and Applications","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Alberta Innovates - Technology Futures","keywords":"Chemistry; Electrophile; Nucleophile; Molybdenum; Terminal (telecommunication); Bond; Quadruple bond; Medicinal chemistry; Electrophilic addition; Stereochemistry; Crystallography; Bond length; Bond order; Inorganic chemistry; Organic chemistry; Crystal structure; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001433835,0.0002976141,0.0001781532,0.00007087678,0.0001009576,0.0002746968,0.0002702503,0.0002242938,0.001255361],"category_scores_gemma":[0.0002002321,0.0001887776,0.000109998,0.00007307121,0.0002153671,0.0001612014,0.0003196366,0.0003244866,0.0001242556],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001966749,"about_ca_system_score_gemma":0.000089013,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003411905,"about_ca_topic_score_gemma":0.0005724814,"domain_scores_codex":[0.9998972,0.00001531863,0.00000586644,0.00002115679,0.00002008542,0.00004029699],"domain_scores_gemma":[0.9999322,0.00001009908,0.00002371927,0.000009528718,0.000009329644,0.00001522813],"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":[0.0002515086,0.00002216162,0.0002054814,0.00008367608,0.000008307619,0.00003965328,0.00005077268,0.0002106236,0.9973743,0.0002621868,0.00007068436,0.001420651],"study_design_scores_gemma":[0.00003265243,0.0002455593,0.0007195901,0.000003486681,0.000007751358,0.00004817136,0.00002079247,0.0007264214,0.9972197,0.00003481446,0.0009362549,0.000004741768],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981957,0.0001078934,0.0007958369,0.0000205724,0.000007224507,0.00001185745,0.00003134582,0.00002840137,0.0008011892],"genre_scores_gemma":[0.9985393,0.00007051665,0.0006507159,0.00001268205,0.000003086598,0.000009099501,0.00005216851,0.000009221191,0.0006531132],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001255361,"threshold_uncertainty_score":0.004199624,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00599350711363049,"score_gpt":0.2302434697616091,"score_spread":0.2242499626479786,"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."}}