电荷转移配合物[N-（4-氟-苄基）-3,5-二甲基吡啶][Ni（dmit）2]的合成及其晶体结构

设计合成了一种电荷转移配合物,N-(4-氟-苄基)-3,5-二甲基吡啶]Ni(dmit)2],其中dmit=1,3-二硫醚-2-硫酮-4,5-二硫烯,并对其进行了元素分析和红外光谱表征,用X-射线单晶衍射仪测定了配合物的结构。结果表明,此配合物属于单斜晶系,P21/c空间群,晶胞参数为:a=8.1372(9),b=27.549(3),c=11.7528(13),β=93.163(2)°,V=2630.6(5)3,C20H15FNNiS10,Mr=667.64,Dc=1.686 g/cm3,S=1.003,Z=4,F(000)=1356,一致性因子分别为R1=0.0352,wR2=0.1036。Ni(dmit)2]-二聚体通过侧基上硫原子间的堆积作用,形成了二维片状结构。

SYNTHESIS AND CRYSTAL STRUCTURE OF THE CHARGE TRANSFER COMPLEX [N-（4-FLUOROBENZYL）-3,5-DIMETHYLPYRIDINIUM] [Ni（DMIT）2]

A new charge transfer complex, N-（4-fluorobenzyl）-3,5-dimethylpyridinium] Ni（dmit）2] （1）, in which dmit is same as 4,5-dimercapto-1,3-dithiole-2-thione, has been prepared and characterized by elemental analysis, IR and single-crystal X-ray diffraction. 1 crystallizes in the space group P21/c of the monoclinic system with eight formula units in a cell： a = 8.1372（9）, b = 27.549（3）, c = 11.7528（13） A, β = 93.163（2）°, V = 2630.6（5） A3, C20HIsFNNiS10, Mr = 667.64, Dc = 1.686 g/cm3, S = 1.003, Z = 4, F（000） = 1356, R1 = 0.0352 and wR2 =0.0.1036. The anions of Ni（dmit）2] stacks into dimers, which further construct into a 2-D framework structure through lateral S...S interactions.