二(1-烯丙基)咪唑二异硫氰酸铜的合成、结构和电化学性能(英文)

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

合成了配合物Cu(Aim)2(NCS)2(Aim为1-烯丙基咪唑),并用X射线单晶衍射仪测定了其晶体结构。晶体属三斜晶系,P1空间群,晶胞参数为:a=0.8490(17)nm,b=1.1596(2)nm,c=1.9568(4)nm,α=74.15(3)°,β=87.44(3)°,γ=76.23(3)°,V=1.8008(6)nm3,Z=4,Dc=1.461 g.cm-3。最后精修结果为:R1=0.065 4,wR2=0.170 9。在配合物结构中每个Cu(Ⅱ)原子分别与2个1-烯丙基咪唑N原子、2个异硫氰酸基团N原子进行配位,形成了一个平面四边形构型。配合物的循环伏安图显示了一对具有扩散控制特征的准可逆氧化还原峰。大的电子转移速率常数(ks=6.12 s-1)表明配合物与电极表面之间电子传输良好的便利性。

The title complex Cu（Aim）2（NCS）2 （Aim=l-allyl-lH-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, α =74.15 （3）°,β = 87.44 （3）°, γ = 76.23（3）°, V=1.800 8（6） nm3, Z=4, and Do=1.461 g·cm-3 the final R1=0.065 4, wR2=0.170 9. In the structure of the complex each Cu （1I） 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 vohammograms of the complex indicate a pair of quasi- reversible redox couple with diffusion-controlled characteristics. Large charge transfer rate constant （kx=6.12 s-1） indicates that great facilitation of the charge transfer between the complex and the electrode surface. C CDC： 801414.