title: Ligand exchange reactions in Cu(III) complexes: mechanistic insights by combined NMR and DFT studies.
abstract: NMR studies of (13)C/(12)C isotopic patterns in Cu(iii) intermediates and reaction products together with DFT calculations of possible reaction pathways indicate an intermolecular S(N)2 like substitution mechanism for ligand exchange reactions in square planar Cu(iii) complexes, which is proposed to be slow compared to reductive elimination at synthetic conditions.
authors.affiliation: Institut für Organische Chemie, Universität Regensburg, 93040 Regensburg, Germany.
authors.forename: Tobias
authors.initials: T
authors.lastname: Gärtner
authors.forename: Naohiko
authors.initials: N
authors.lastname: Yoshikai
authors.forename: Maria
authors.initials: M
authors.lastname: Neumeier
authors.forename: Eiichi
authors.initials: E
authors.lastname: Nakamura
authors.forename: Ruth M
authors.initials: RM
authors.lastname: Gschwind
mesh_terms: D003198:Computer Simulation; D003300:Copper / Q000737:chemistry*; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008956:Models, Chemical; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D011789:Quantum Theory; D013237:Stereoisomerism
chemical_list: D008024:Ligands; D009942:Organometallic Compounds; D003300:Copper