Synthesis, Crystal Structure, Electrochemical Studies of Bis(1-allyl-1H-imidazole)diisothiocyanatocopper(II)

The title complex Cu(Aim)(2)(NCS)(2) (Aim=1-allyl-1H-imidazole) has been synthesized and structurally characterized by X-ray single crystal diffractometry. The complex crystallizes in triclinic system, P1 space group with the cell parameters of a=0.849 0(17) nm, b=1.159 6(2) nm, c=1.956 8(4) nm, alpha=74.15(3)degrees. beta=87.44(3)degrees, gamma=76.23(3)degrees, V=1.800 8(6) nm(3), Z=4, and D-c=1.461 g.cm(-3), the final R-1=0.0654, wR(2)=0.170 9. In the structure of the complex each Cu (II) ion is coordinated by two N atoms from two Aim molecules and two N atoms from two isothiocyanic groups in a square-planar geometry. Cyclic voltammograms of the complex indicate a pair of quasi-reversible redox couple with diffusion-controlled characteristics. Large charge transfer rate constant (k(s)=6.12 s(-1)) indicates that great facilitation of the charge transfer between the complex and the electrode surface. CCDC: 801414.