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

Abstract 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 ](BF 4 ) 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 M II 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 C H⋯S interactions in complexes 1 – 3 was analyzed by means of density functional methods.