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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 被引量:3

SYNTHESIS AND CRYSTAL STRUCTURE OF THE CHARGE TRANSFER COMPLEX [N-(4-FLUOROBENZYL)-3,5-DIMETHYLPYRIDINIUM] [Ni(DMIT)_2]
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摘要 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。 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.
作者 黄良芳 张辉
出处 《井冈山大学学报(自然科学版)》 2013年第4期28-32,共5页 Journal of Jinggangshan University (Natural Science)
基金 安徽省高校自然科学基金研究项目(KJ2012B178 KJ2012ZD11) 黄山学院科研项目(2012xkjq010 2012xkjq012)
关键词 1 3-二硫醚-2硫酮-4 5-二硫烯 电荷转移配合物 合成 晶体结构 表征 2-thioxo-l,3-dithiole-4,5-dithiolene charge transfer complex synthesis crystal structure symptom
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