高等学校化学学报

高等学校化学学报 ›› 1991, Vol. 12 ›› Issue (3): 290.

• 论文 • 上一篇    下一篇

联苯甲酰双缩氨基脲硫氰酸根硝酸根混合阴离子配位钕(Ⅲ)配合物的合成与结构

黄玲1, 黄春辉1, 任镜清1, 徐光宪1, 贺存恒2   

  1. 1. 北京大学化学系稀土化学研究中心, 100871;
    2. 中国医学科学院药物研究所
  • 收稿日期:1989-06-01 出版日期:1991-03-24 发布日期:1991-03-24
  • 通讯作者: 黄春辉
  • 基金资助:

    国家自然科学基金

Synthesis and Molecular Structure of Mixed Thiocyanate and Nitrate Neodymium Complex with Dibenzoylsemicarbazone

Huang Ling1, Huang Chun-hui1, Ren Jing-qing1, Xu Guang-xian1, He Cun-heng2   

  1. 1. Research Center of Rare Earth Chemistry, Peking University, Beijing, 100871;
    2. Institute of Materia Madica, Chinese Academy of Medical Sciences, Beijing
  • Received:1989-06-01 Online:1991-03-24 Published:1991-03-24

PDF (PC)

被引次数

5

摘要： 合成了联苯甲酰双缩氨基脲硫氰酸根、硝酸根混合配位的钕(Ⅲ)配合物。在此配合物中只有1个链状配体,另有2个硫氰酸根、1个硝酸根和1个水分子参与配位。总配位数是9。晶体结构分析表明,该配合物晶体属三斜晶系,P1空间群。晶胞参数a=10.866(2)Å,b=13.687(3)Å,c=15.433(3)Å,α=98.75(4)°,β=107.64(5)°,γ=112.14(5)°。最终偏差因子R=0.075。用INDO方法计算结果表明:NCS对Nd(Ⅲ)的配位比基对Nd(Ⅲ)的配位强。

关键词: 联苯甲酰双缩氨基脲, 硫氰酸钕, 硝酸钕, 配合物

Abstract: Following the neodymium perchlorate complex with a new Schiff base diben-zoylsemicarbazone, [Nd(C16H16N6O2)2(H2O)2](ClO4)3, another neodymium mixed-coordinated thio-cyanate and nitrate complex [Nd(C16H16N6O2)(NO3)(NCS)2H2O] 3CH3(CO)CH3with the same lig-and was synthesized. Compared with neodymium perchlorate complex, only one chain ligand takes part in the coordination. The excess coordination sites are satisfied by two thiocyanate ions, one ni-treate ion and one water molecule. The C. N. of neodymium is 9. The crystal structure of this complex was determined as follows: P1 space group. The cell constants are:α=10.866(2)Å, b=13. 687(3)Å, c=15.133(3)Å, α=98. 75(4)°,β=107. 64(5)°,γ=112. 14(5)°. The final deviation factor R=0. 075. The electronic structure of model molecule for this complex has been calculated by INDO method. The result shows that coordination bond formed by NCS-is much strongerthan that formed by group. It should be due to the fact that besides σ coordination bondthere isπd interaction be ween NCS-and Nd(Ⅲ).

Key words: Dibenzoylsemicarbazone, Thiocyanate neodymium, Nitrate neodymium, Complex(G, S)

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