Synthesis, spectroscopic and computational studies plus crystal structure of [(bis-benzo-1,3-thiazolidine-2-thione) (bis-triphenylphoshine)copper(I)][chloro(benzothiazolidine-2-thione)(bis-triphenylphoshine)copper(I)

Abstract

Treatment of [Cu(PPh 3) 3Cl] (PPh 3=triphenylphosphine) in acetonitrile/methanol solvent with benz-1,3-thiazolidine-2-thione (bzthztH) yielded, depending on the reactions stoichiometry, two different products. The reaction in a 1:2 metal–thione ratio yielded a product of the formula {[Cu(PPh 3) 2(bztzdtH)Cl][Cu(PPh 3) 2(bztzdtH) 2]}, while the reaction in a 1:3 metal–thione ratio resulted in the total elimination of the phosphine ligands to give the mononuclear complex [Cu(bztzdtH) 3Cl]. The complexes were characterized by their IR, UV–Vis and 1H-NMR spectroscopic data. The crystal structure of {[Cu(PPh 3) 2(bztzdtH) 2][Cu(PPh 3) 2(bztzdtH)Cl]} was determined by single crystal X-ray diffraction methods. The unit cell contains two different molecules [Cu(PPh 3) 2(bztzdtH) 2] (hereafter molecule A) and [Cu(PPh 3) 2(bztzdtH)Cl] (hereafter molecule B). In both of the molecules, copper(I) atoms display a distorted tetrahedral environment. In the CuP 2S 2 core of molecule A, Cu–P bond lengths are 2.285(2) and 2.281(2) Å, while Cu–S bond distances are 2.364(2) and 2.386(2) Å. In molecule B, the tetrahedral arrangement around the copper(I) atom is formed by two P atoms from triphenyl-phosphine with Cu–P bond distances of 2.269(2) and 2.285(3) Å, one Cl atom (Cu–Cl=2.40 Å) and one S atom from the thione ligand [Cu–S=2.36(4) Å].