OXIDATIVE ADDITION OF MONO AND BIS(CARBENE) COMPLEXES DERIVED FROM IMIDAZOLYL AND THIAZOLYL GOLD(I) COMPOUNDS

A series of cationic imidazolinylidene and thiazolinylidene gold(III) complexes was synthesized by the oxidative addition of halogens to the corresponding bis(carbene) gold(I) compounds. Similar reactions with the thiazolyl-derived mono(carbene) gold(I) complex only give mono(car bene) halogold(I) compounds. Quantum mechanical calculations employing the GAUSSIAN92 series of programs at the DFT/HF (hybrid density funct ional theory) level were carried out for the model complexes [Au(CNHCH =CHNH}(2)Cl-2](+) and [Au{CNHCH=CHNH}(2))(+) and compared to the molec ular structure of the imidazolinylidene gold(III) compound [Au{CNMeCH= CHNMe}(2)Cl-2][CF3SO3] as well as an analogous gold(I) complex. (C) 19 97 Elsevier Science S.A.