Theoretical and spectrophotometrical study of the interaction of nitric oxide with copper (II) dithiocarbamates

Potassium 1-[2-(2-hydroxyethoxy)ethyl]piperazinedithiocarbamate (1) and bis{1-[2-(2-hydroxyethoxy)ethyl]piperazinedithiocarbamato} copper(II) (2) were prepared for the first time. The crystal structure of (2) was determined by single crystal X-ray diffraction analysis. (2) is a centrosymmetrical molecule with a CuS4 “core” plane. Theoretical studies for the similar compound bis[1-(2-hydroxyethyl)piperazinedithiocarbamato] copper(II) (3), (3)NO, (3)(NO)(H2O) and (3) (NO)2 were carried out by means of the SPARTAN’02 program.