{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Wojdyla Z"],"funding":["Akademie Ved Cesk? Republiky","FP7 People: Marie-Curie Actions","Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy","Grantov? Agentura Cesk? Republiky"],"pagination":["22698-22710"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12648667"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["64(46)"],"pubmed_abstract":["This study explores hydride-coupled electron transfer (HCET) as a fundamentally distinct mechanism alternative to proton-coupled electron transfer (PCET). HCET was identified in the reaction between a Cu<sup>III</sup>-OH complex and organic substrates, involving hydride transfer coupled with a reversed electron transfer from Cu<sup>III</sup>-OH to the substrate in a single-barrier step. First, we identified the connection between the thermodynamic cycles and reactivity and showed that the mechanism is dictated by the cycle with more favorable off-diagonal thermodynamics. As evidenced by electronic-structure-based descriptors, the transferred hydrogen atom in HCET gains electron density and volume at the transition state, indicating hydride character, while in PCET, it loses electron densit"],"journal":["Inorganic chemistry"],"pubmed_title":["Hydrogen Atom Abstraction via Hydride-Coupled Electron Transfer and Its Origin."],"pmcid":["PMC12648667"],"funding_grant_id":["24-11247S","CZ.02.01.01/00/ 22_008/0004617","101150275"],"pubmed_authors":["Srnec M","Gopinath JS","Wojdyla Z"],"additional_accession":[]},"is_claimable":false,"name":"Hydrogen Atom Abstraction via Hydride-Coupled Electron Transfer and Its Origin.","description":"This study explores hydride-coupled electron transfer (HCET) as a fundamentally distinct mechanism alternative to proton-coupled electron transfer (PCET). HCET was identified in the reaction between a Cu<sup>III</sup>-OH complex and organic substrates, involving hydride transfer coupled with a reversed electron transfer from Cu<sup>III</sup>-OH to the substrate in a single-barrier step. First, we identified the connection between the thermodynamic cycles and reactivity and showed that the mechanism is dictated by the cycle with more favorable off-diagonal thermodynamics. As evidenced by electronic-structure-based descriptors, the transferred hydrogen atom in HCET gains electron density and volume at the transition state, indicating hydride character, while in PCET, it loses electron densit","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Nov","modification":"2026-06-05T17:54:42.243Z","creation":"2026-05-19T03:11:57.003Z"},"accession":"S-EPMC12648667","cross_references":{"pubmed":["41231153"],"doi":["10.1021/acs.inorgchem.5c03613"]}}