title: Csp3-H Activation without Chelation Assistance in an Iridium Pincer Complex Forming Cyclometallated Products.
abstract: Cyclometallation of 8-methylquinoline and 2-(dimethylamino)-pyridine in an iridium-based pincer complex is described. The C-H activation of 2-(dimethylamino)pyridine is not chelation assisted, which has not been described before for Csp3-H bonds in cyclometallation reactions. The mechanism of the cyclometallation of 2-(dimethylamino)pyridine was studied by DFT calculations and kinetic measurements.
authors.affiliation: Centre for Analysis and Synthesis, Department of Chemistry, Lund University, PO Box 124, 22100, Lund, Sweden.
authors.forename: David A
authors.initials: DA
authors.lastname: Ahlstrand
authors.affiliation: Centre for Analysis and Synthesis, Department of Chemistry, Lund University, PO Box 124, 22100, Lund, Sweden.
authors.forename: Alexey V
authors.initials: AV
authors.lastname: Polukeev
authors.affiliation: School of Biotechnology, KTH Royal Institute of Technology, 106 91, Stockholm, Sweden.
authors.forename: Rocío
authors.initials: R
authors.lastname: Marcos
authors.affiliation: School of Biotechnology, KTH Royal Institute of Technology, 106 91, Stockholm, Sweden.
authors.forename: Mårten S G
authors.initials: MS
authors.lastname: Ahlquist
authors.affiliation: Centre for Analysis and Synthesis, Department of Chemistry, Lund University, PO Box 124, 22100, Lund, Sweden.
authors.forename: Ola F
authors.initials: OF
authors.lastname: Wendt
keywords: cyclometallation; density functional calculations; iridium; pincer complexes; undirected C−H activation