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化学学报
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化学学报 ›› 2006, Vol. 64 ›› Issue (24): 2496-2500. 上一篇    下一篇

研究简报

三维多孔配位聚合物{[Zn2(mal)2(4,4'-bipy)(H2O)2]•2(H2O)0.25}∞ (mal＝丙二酸根)的合成、结构及性质研究

曹向前1, 陈金香1, 陈阳1, 李红喜1, 任志刚1, 张勇1, 郎建平*,1,2   

  1. (1苏州大学化学化工学院 江苏省有机合成重点实验室 苏州 215123)
    (2中国科学院上海有机化学研究所 金属有机化学国家重点实验室 上海 200035)
  • 投稿日期:2006-06-05 修回日期:2006-09-14 发布日期:2006-12-28
  • 通讯作者: 郎建平

Synthesis, Crystal Structure and Properties of a 3D Porous Coordination Polymer {[Zn2(mal)2(4,4'-bipy)(H2O)2]• 2(H2O)0.25}∞ (mal＝malonate)

CAO Xiang-Qian1; CHEN Jin-Xiang1; CHEN Yang1; LI Hong-Xi1; REN Zhi-Gang1; ZHANG Yong1; LANG Jian-Ping*,1,2   

  1. (1 Key Laboratory of Organic Synthesis of Jiangsu Province, School of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215123)
    (2 State Key Laboratory of Organometallic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032)
  • Received:2006-06-05 Revised:2006-09-14 Published:2006-12-28
  • Contact: LANG Jian-Ping

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ZnO, 丙二酸及4,4'-bipy按物质的量之比1∶3∶0.3溶于H2O和DMF混合溶剂中(体积比4∶1), 形成的无色溶液在50 ℃反应 3 d, 得到了标题化合物{[Zn2(mal)2(4,4'-bipy)(H2O)2]•2(H2O)0.25}∞ (mal＝丙二酸根), 对其进行了元素分析、红外光谱和X射线衍射表征, 测定了晶体结构. 该聚合物属单斜晶系, P21/n空间群, a＝0.71215(16) nm, b＝1.8685(4) nm, c＝0.73890(17) nm, β＝91.486(5)°, V＝0.9829(4) nm3, Z＝4, Dc＝1.811 g/cm3, Mr＝268.03, F(000)＝542, μ＝25.02 cm－1. 最终偏离因子R1＝0.0499, wR2＝0.1374. 该化合物中Zn原子和三个丙二酸根中的4个O原子、一个水分子和4,4'-bipy的一个N原子配位, 形成的ZnNO5八面体通过4,4'-bipy和丙二酸根桥联, 组成一种新颖的三维多孔结构, 其孔道中充填游离水分子. 此外还研究了该聚合物的热性质.

关键词: 锌配合物, 丙二酸根, 4,4'-联吡啶, 晶体结构, 合成, 聚合物

Reaction of ZnO, malonic acid, 4,4'-bipy (molar ratio is 1∶3∶0.3) in H2O/DMF (V∶V＝4∶1) at 50 ℃ for 3 d gave the title compound {[Zn2(mal)2(4,4'-bipy)(H2O)2]•2(H2O)0.25}∞ (mal＝malonate). The compound was characterized by elemental analysis, IR spectrum and single-crystal X-ray diffraction. It crystallizes in the monoclinic system, space group P21/n with a＝0.71215(16) nm, b＝1.8685(4) nm, c＝0.73890(17) nm, β＝91.486(5)°, V＝0.9829(4) nm3, Z＝4, Dc＝1.811 g/cm3, Mr＝268.03, F(000)＝542, μ＝25.02 cm－1, R1＝0.0499 and wR2＝0.1374. The X-ray analysis revealed that the central Zn atom is octahedrally coordinated by four O atoms from three mal ligands, one O atom from H2O and one N atom from 4,4'-bipy. The resulting ZnNO5 octahedron is bridged by 4,4'-bipy and malonate ligands, forming a novel 3D porous structure with its channels filled with water molecules. In addition, the thermal properties of the polymeric compound were also investigated.

Key words: zinc complex, malonate, 4,4'-bipyridine, synthesis, coordination polymer, crystal structure