title: Insertion of CS(2) into iridium-fluorine bonds.
abstract: CS2 jumps in: CF bond formation occurs by reactions of the fluorido complexes trans-[Ir(Ar(F) )(F)(H)(PiPr3 )2 ] (Ar(F) =4-C5 NF4 ; see scheme) with CS2 to form the fluorodithiocarbonato species trans-[Ir(Ar(F) )(H)(κ(2) -(S,S)-S2 CF)(PiPr3 )2 ]. DFT studies suggest an unprecedented concerted metathesis-like mechanism for the CF bond-formation step in which CS2 inserts into the IrF bond.
authors.affiliation: Humboldt-Universität zu Berlin, Department of Chemistry, Brook-Taylor-Strasse 2, 12489 Berlin (Germany).
authors.forename: Paul
authors.initials: P
authors.lastname: Kläring
authors.forename: Thomas
authors.initials: T
authors.lastname: Braun
mesh_terms: D002246:Carbon Disulfide / Q000737:chemistry*; D002384:Catalysis; D018360:Crystallography, X-Ray; D005461:Fluorine / Q000737:chemistry*; D007495:Iridium / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D005461:Fluorine; D007495:Iridium; D002246:Carbon Disulfide
keywords: density functional calculations; fluorine; iridium; reaction mechanism; structure elucidation