高等学校化学学报 ›› 2010, Vol. 31 ›› Issue (5): 867.

• 研究论文 • 上一篇    下一篇

四种新型柔性吡啶基配合物的合成、结构及配体构象与配合物结构的关系

季长春1, 许正江1, 李静1, 刘光祥2, 郑和根1,3   

  1. 1. 南京大学化学化工学院, 配位化学国家重点实验室, 南京 210093;
    2. 安庆师范学院化学化工学院, 功能配合物安徽省重点实验室, 安庆 246003;
    3. 中国科学院福建物质结构研究所, 结构化学国家重点实验室, 福州 350002
  • 收稿日期:2009-09-10 出版日期:2010-05-10 发布日期:2010-05-10
  • 通讯作者: 郑和根, 男, 博士, 教授, 博士生导师, 主要从事原子簇和配位化学研究. E-mail: zhenghg@nju.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 20971065)和国家“九七三”计划项目(批准号: 2007CB925103, 2010CB923303)资助.

Syntheses, Structures of Four New Complexes Constructed by Flexible Pyridine Ligand and the Relationship Between Conformations and Structures

JI Chang-Chun1, XU Zheng-Jiang1, LI Jing1, LIU Guang-Xiang2, ZHENG He-Gen1,3*   

  1. 1. State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China;
    2. Anhui Key Laboratory of Functional Coordination Compounds, School of Chemistry and Chemical Engineering, Anqing Normal University, Anqing 246003, China;
    3. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China

  • Received:2009-09-10 Online:2010-05-10 Published:2010-05-10
  • Contact: ZHENG He-Gen. E-mail: zhenghg@nju.edu.cn
  • Supported by:

    国家自然科学基金(批准号: 20971065)和国家“九七三”计划项目(批准号: 2007CB925103, 2010CB923303)资助.

摘要:

合成了柔性配体3-吡啶甲酸-1,2-乙二酯(3-pyridinecarboxylic acid 1,2-ethanediyl ester, pcaede), 并将其分别与Co盐和Hg盐进行组装, 得到4个新配合物[Co(pcaede)2Cl2·2CH3CN·H2O]n(1), [Co(pcaede)2Cl2·H2O]n(2), [Hg(pcaede)I2]n(3)和[Hg(pcaede)Br2]n (4), 对其进行了元素分析、红外光谱及X射线单晶结构分析. 配合物1和2为含有孔道的一维链状结构, 配合物3是1D内消旋螺旋链, 配合物4则是锯齿形1D链状结构. 研究结果显示, 孔道中填充的溶剂分子和平衡阴离子对配合物的组装有显著的影响. 此外对4个配合物中配体的构象进行了理论计算.

关键词: 晶体结构; 柔性配体; 构象; 理论计算

Abstract:

Four new complexes [Co(pcaede)2Cl2·2CH3CN·H2O]n(1), [Co(pcaede)2Cl2·H2O]n(2), [Hg(pcaede)I2]n(3) and [Hg(pcaede)Br2]n(4) were prepared with a flexible ligand 3-pyridinecarboxylic acid 1,2-ethanediyl ester(pcaede) and Co/Hg salts. They were characterized by elemental analysis, IR and X-ray single-crystal diffraction. Complexes 1 and 2 both have an one-dimensional(1D) chain sturcture with channels. Complex 3 processes a 1D meso-helix sturcture, and complex 4 exhibits a 1D infinite zig-zag chain structrue. The results demonstrated that the solvent molecules filled in channels and counteranions have a significant impact on the assembly of the complexes. Moreover, theoretical calculations were carried about the conformation of the ligand in four complexes.

Key words: Crystal structure; Flexible ligand; Conformation; Theoretical calculation

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