{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["5(6)"],"submitter":["Mauro LA"],"pubmed_abstract":["We describe the first comparative data on metal-mediated C-H activation and functionalization reactions at two-carbon-atom legacy refrigerants and density functional theory (DFT) analyses on the resulting organometallic products. We reveal that, depending on the degree of fluorination in the refrigerant, C-H activation could lead either to stable M-(H)-R<sub>f</sub> products or to a M-(fluoroolefin) complex. The first example of a metal-mediated dehydrofluorination of R-143a is described, resulting from a β-fluoride elimination reaction of a putative [Ir-(H)-(CH<sub>2</sub>CF<sub>3</sub>)] intermediate and the loss of hydrogen fluoride. This work also reports the first examples of metal-mediated activation of R-125 (CF<sub>3</sub>-CF<sub>2</sub>H) and R-134a (CF<sub>3</sub>-CFH<sub>2</sub>"],"journal":["ACS organic & inorganic Au"],"pagination":["518-530"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12679306"],"repository":["biostudies-literature"],"pubmed_title":["Identifying Reactivity Differences of Two-Carbon-Atom-Based Legacy Refrigerants at Group 9 Metal Pincer Complexes."],"pmcid":["PMC12679306"],"pubmed_authors":["Mauro LA","Herlinger IA","Hall SJ","Hughes RP","Cramer RE","Fredin LA","Vicic DA"],"additional_accession":[]},"is_claimable":false,"name":"Identifying Reactivity Differences of Two-Carbon-Atom-Based Legacy Refrigerants at Group 9 Metal Pincer Complexes.","description":"We describe the first comparative data on metal-mediated C-H activation and functionalization reactions at two-carbon-atom legacy refrigerants and density functional theory (DFT) analyses on the resulting organometallic products. We reveal that, depending on the degree of fluorination in the refrigerant, C-H activation could lead either to stable M-(H)-R<sub>f</sub> products or to a M-(fluoroolefin) complex. The first example of a metal-mediated dehydrofluorination of R-143a is described, resulting from a β-fluoride elimination reaction of a putative [Ir-(H)-(CH<sub>2</sub>CF<sub>3</sub>)] intermediate and the loss of hydrogen fluoride. This work also reports the first examples of metal-mediated activation of R-125 (CF<sub>3</sub>-CF<sub>2</sub>H) and R-134a (CF<sub>3</sub>-CFH<sub>2</sub>","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Dec","modification":"2026-06-05T23:27:17.825Z","creation":"2026-05-23T03:13:31.839Z"},"accession":"S-EPMC12679306","cross_references":{"pubmed":["41356452"],"doi":["10.1021/acsorginorgau.5c00071"]}}