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化学学报
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化学学报 ›› 2007, Vol. 65 ›› Issue (23): 2720-2724. 上一篇    下一篇

研究论文

具有双螺旋链的新型镉(II)大豆甙元衍生物配位聚合物[Cd(L)(H2O)3]•2H2O的合成与晶体结构研究

延玺*, 李玉梅, 于静, 刘会青   

  1. (北京师范大学化学学院 北京 100875)
  • 投稿日期:2007-03-09 修回日期:2007-05-08 发布日期:2007-12-14
  • 通讯作者: 延玺

Synthesis and Crystal Structure of a Novel Coordination Polymer of Cadmium(II) Daidzein Derivative [Cd(L)(H2O)3]•2H2O with Double Helical Chains

YAN Xi*; LI Yu-Mei; YU Jing; LIU Hui-Qing   

  1. (College of Chemistry, Beijing Normal University, Beijing 100875)
  • Received:2007-03-09 Revised:2007-05-08 Published:2007-12-14
  • Contact: YAN Xi

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合成新型大豆甙元衍生物Cd(II)配合物[Cd(L)(H2O)3]•2H2O (H2L＝3'-磺酸钠-4'-羟基-7-羧甲基异黄酮), 采用单晶X射线衍射、元素分析和IR对其进行表征. 该配合物属单斜晶系, 空间群为P21/a, 晶胞参数a＝1.3691(3) nm, b＝0.72157(16) nm, c＝2.0163(5) nm, α＝90°, β＝93.501(4)°, γ＝90°, V＝1.9882(8) nm3, Mr＝592.79, Z＝4, Dc＝1.980 g•cm－3, F(000)＝1192, μ＝1.283 mm－1, R1＝0.0387, wR2＝0.1224. X射线单晶衍射分析结果表明, 该单晶中Cd(II)为六配位, 它除了与配体L中羧基和磺酸基上的氧原子配位外, 还与溶剂中的3个水分子发生配位, 形成了以Cd(II)为中心的八面体配位构型. 该晶体结构中存在着平行于b轴的双螺旋链, 左手螺旋Cd-L链和右手螺旋Cd-L链的交替排列构成了二维层状结构. 由于配位水和晶格水以及配体中CO2, SO3, O, CO, OH等的存在, 该晶体中存在着丰富而复杂的氢键, 二维层状结构之间依靠这些复杂的氢键作用形成三维超分子结构.

关键词: 双螺旋链, 晶体结构, 氢键, 大豆甙元, 配位聚合物

A novel coordination polymer [Cd(L)(H2O)3]•2H2O (H2L＝4'-hydroxy-7-carboxy-methoxyisofla- vone-3-sulfonate) was synthesized and characterized by means of single-crystal X-ray diffraction (XRD) analysis, elemental analysis, IR analysis, etc. The crystal structure belongs to monoclinic system, space group P21/a, with a＝1.3691(3) nm, b＝0.72157(16) nm, c＝2.0163(5) nm, α＝90°, β＝93.501(4)°, γ＝90°, V＝1.9882(8) nm3, Mr＝592.79, Z＝4, Dc＝1.980 g•cm－3, F(000)＝1192, μ＝1.283 mm－1, R1＝0.0387, wR2＝0.1224. The results showed that Cd atom is six-coordinated by two oxygen atoms from different sulfonate groups [O(8), O(7B)], one oxygen atom from carboxylate group of another ligand [O(5A)], and three oxygen atoms from the coordinated water molecules [O(11), O(12)] in a distorted octahedron geometry. The compound was a 2D layered coordination polymer with double helical chains. In the compound, there are left-handed Cd-L chains and right-handed Cd-L chains, and these two kinds of chains connected by O(7) from a sulfonate group are interlaced. There are abundant and complex hydrogen bonds among coordinated water, lattice water, CO2, SO3, O, CO and OH in the crystal. The layers are connected via complex hydrogen bonds into a 3D supramolecular framework.

Key words: double helical chain, crystal structure, hydrogen bond, daidzein, coordination polymer