{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Lin L"],"funding":["Division of Chemistry","American Chemical Society Petroleum Research Fund","Rutgers, The State University of New Jersey"],"pagination":["34395-34410"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12464984"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["147(38)"],"pubmed_abstract":["Carbon-hydrogen bond activation is a pillar of synthetic chemistry. While it is generally accepted that Pd is more facile than Ni in C-H activation catalysis, there are no experimental platforms available to directly compare the magnitude of C-H bond weakening between Ni and Pd prior to bond scission. This work presents the first direct measurements of C(sp<sup>3</sup>)-H bond acidity (p<i>K</i><sub>a</sub>) and bond dissociation free energy (BDFE) for a species containing a ligated alkane-palladium interaction (R<sub>2</sub>CH<sub>2</sub>···Pd), also known as an agostic interaction. Through standard-state equilibrium measurements and advanced computational modeling, we show that Pd acidifies C(sp<sup>3</sup>)-H bonds 100,000 times more than Ni (5 p<i>K</i><sub>a</sub> units), indicating t"],"journal":["Journal of the American Chemical Society"],"pubmed_title":["A 100,000-Fold Increase in C-H Bond Acidity Gives Palladium a Key Advantage in C(sp&lt;sup&gt;3&lt;/sup&gt;)-H Activation Compared to Nickel."],"pmcid":["PMC12464984"],"funding_grant_id":["66371-ND3","2442904","2018753"],"pubmed_authors":["Hansen A","Lalancette RA","Prokopchuk DE","Lin L","Kucheryavy P","Schramm TK"],"additional_accession":[]},"is_claimable":false,"name":"A 100,000-Fold Increase in C-H Bond Acidity Gives Palladium a Key Advantage in C(sp&lt;sup&gt;3&lt;/sup&gt;)-H Activation Compared to Nickel.","description":"Carbon-hydrogen bond activation is a pillar of synthetic chemistry. While it is generally accepted that Pd is more facile than Ni in C-H activation catalysis, there are no experimental platforms available to directly compare the magnitude of C-H bond weakening between Ni and Pd prior to bond scission. This work presents the first direct measurements of C(sp<sup>3</sup>)-H bond acidity (p<i>K</i><sub>a</sub>) and bond dissociation free energy (BDFE) for a species containing a ligated alkane-palladium interaction (R<sub>2</sub>CH<sub>2</sub>···Pd), also known as an agostic interaction. Through standard-state equilibrium measurements and advanced computational modeling, we show that Pd acidifies C(sp<sup>3</sup>)-H bonds 100,000 times more than Ni (5 p<i>K</i><sub>a</sub> units), indicating t","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-03T21:10:54.461Z","creation":"2026-05-01T03:11:04.382Z"},"accession":"S-EPMC12464984","cross_references":{"pubmed":["40923927"],"doi":["10.1021/jacs.5c07649"]}}