Experimental and theoretical studies of palladium(II) and platinum(II) complexes derived from di-(2-pyridyl)methyl-N,N?-dibenzyldithiocarbamate.

Di-(2-pyridyl)methyl-N,N?-dibenzyldithiocarbamate (L) and their metal complexes of formula [MII(L)Cl2], M?=?Pd (1); M?=?Pt, (2), and [PdII(L)2](BF4)2 (3) were synthesized and characterized in solution and in solid state by NMR, elemental analysis and vibrational spectroscopy, respectively. The crystal structures of the 1, 2, and 3 were stablished by X-ray single crystal diffraction. In all complexes, the molecular structures displayed the formation of six-membered chelate rings with a square planar local geometry around the MII cations. The N,N?-dibenzyldithiocarbamate group is located in a flagpole position, enhancing the formation of intramolecular M?S interactions in solid state. The nature of the M?S and CH?S interactions in complexes 1?3 was analyzed by means of density functional methods.