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 [M-II(L)Cl-2], M = Pd (1); M = Pt, (2), and [Pd-II(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 cations. The N,N'-dibenzyldithiocarbamate group is located in a flagpole position, enhancing the formation of intramolecular M center dot center dot center dot S interactions in solid state. The nature of the M center dot center dot center dot S and C-H center dot center dot center dot S interactions in complexes 1-3 was analyzed by means of density functional methods. Published by Elsevier Ltd.