{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Pan HR"],"funding":["National Science and Technology Council"],"pagination":["27855-27861"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12333028"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["147(31)"],"pubmed_abstract":["The selective oxidation of strong C-H bonds remains a central challenge in synthetic chemistry, in part due to the elusive nature of active oxidants and their underlying mechanisms. Herein, we report the isolation and complete characterization of a room-temperature-stable mononuclear Ni(III)-hydroxo complex, [Na(15c5)][Ni(PS3″)(OH)] ([Na(15c5)][<b>2</b>]), supported by a <i>tris</i>(benzenethiolato)phosphine ligand derivative. The X-ray crystallographic structure of <b>2</b> reveals a trigonal bipyramidal Ni(III) center, in which the coordinated hydroxo ligand is stabilized by secondary coordination sphere interactions. Complex <b>2</b> displays hydrogen atom transfer (HAT) reactivity toward strong C-H bonds, including that in cyclohexane (BDE = 99.5 kcal mol<sup>-1</sup>). Kinetic studies"],"journal":["Journal of the American Chemical Society"],"pubmed_title":["Basicity-Controlled C-H Bond Activation by a Structurally Characterized Ni(III)-Hydroxo Complex."],"pmcid":["PMC12333028"],"funding_grant_id":["NSTC 1132113M006003"],"pubmed_authors":["Pan HR","Wu J","Hsu HF","Tsai CM","Liao PJ"],"additional_accession":[]},"is_claimable":false,"name":"Basicity-Controlled C-H Bond Activation by a Structurally Characterized Ni(III)-Hydroxo Complex.","description":"The selective oxidation of strong C-H bonds remains a central challenge in synthetic chemistry, in part due to the elusive nature of active oxidants and their underlying mechanisms. Herein, we report the isolation and complete characterization of a room-temperature-stable mononuclear Ni(III)-hydroxo complex, [Na(15c5)][Ni(PS3″)(OH)] ([Na(15c5)][<b>2</b>]), supported by a <i>tris</i>(benzenethiolato)phosphine ligand derivative. The X-ray crystallographic structure of <b>2</b> reveals a trigonal bipyramidal Ni(III) center, in which the coordinated hydroxo ligand is stabilized by secondary coordination sphere interactions. Complex <b>2</b> displays hydrogen atom transfer (HAT) reactivity toward strong C-H bonds, including that in cyclohexane (BDE = 99.5 kcal mol<sup>-1</sup>). Kinetic studies","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Aug","modification":"2026-04-15T19:21:40.138Z","creation":"2026-04-07T14:00:57.053Z"},"accession":"S-EPMC12333028","cross_references":{"pubmed":["40709855"],"doi":["10.1021/jacs.5c06941"]}}