{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["14(4)"],"submitter":["Sorbelli D"],"pubmed_abstract":["The computational study of an unprecedented reactivity of coinage metal-aluminyl complexes with dihydrogen is reported. In close resemblance to group 14 dimetallenes and dimetallynes, the complexes are predicted to activate H<sub>2</sub> under mild conditions. Two different reaction pathways are found disclosing a common driving force, <i>i.e.</i>, the nucleophilic behavior of the electron-sharing M-Al (M = Cu, Ag, Au) bond, which enables a cooperative and diradical-like mechanism. This mode of chemical reactivity emerges as a new paradigm for dihydrogen activation and calls for experimental feedback."],"journal":["Chemical science"],"pagination":["889-896"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9890964"],"repository":["biostudies-literature"],"pubmed_title":["Radical-like reactivity for dihydrogen activation by coinage metal-aluminyl complexes: computational evidence inspired by experimental main group chemistry."],"pmcid":["PMC9890964"],"pubmed_authors":["Belpassi L","Sorbelli D","Belanzoni P"],"additional_accession":[]},"is_claimable":false,"name":"Radical-like reactivity for dihydrogen activation by coinage metal-aluminyl complexes: computational evidence inspired by experimental main group chemistry.","description":"The computational study of an unprecedented reactivity of coinage metal-aluminyl complexes with dihydrogen is reported. In close resemblance to group 14 dimetallenes and dimetallynes, the complexes are predicted to activate H<sub>2</sub> under mild conditions. Two different reaction pathways are found disclosing a common driving force, <i>i.e.</i>, the nucleophilic behavior of the electron-sharing M-Al (M = Cu, Ag, Au) bond, which enables a cooperative and diradical-like mechanism. This mode of chemical reactivity emerges as a new paradigm for dihydrogen activation and calls for experimental feedback.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-04-04T12:56:11.739Z","creation":"2025-04-04T12:56:11.739Z"},"accession":"S-EPMC9890964","cross_references":{"pubmed":["36755722"],"doi":["10.1039/d2sc05815d"]}}