| Abstract |
Reaction of cis-dichloro-bis-(cyclohexylisocyanide)palladium(II) ([PdCl2(CNCy)(2)], (1) or cis-dichloro-bis(2,6-dimethylphenylisocyanide)palladium(II) ([PdCl2(CNXyl)(2)], (2) with excess of potassium bromide in acetone furnished complexes trans-dibromo-bis-(cyclohexylisocyanide)palladium(II) ([PdBr2(CNCy)(2)], (3) or trans-dibromo-bis-(2,6-dimethylphenylisocyanide)palladium(II) ([PdBr2(CNXyl)(2)], (4), respectively. Both compounds were characterized by elemental analyses (C, H, N), high resolution ESI+-MS, IR, H-1 and C-13\H-1\ NMR spectroscopies, and their crystals were analyzed by a single-crystal and powder X-ray diffraction methods. To rationalize the dependence of the structure of 1-4 on type of halogen ligands, the Gibbs free energies of corresponding cis- and trans-isomers of 1-4 were estimated at the DFT B3LYP level of theory. (C) 2014 Elsevier B.V. All rights reserved. |
