物理化学学报 >> 1990, Vol. 6 >> Issue (05): 556-561.doi: 10.3866/PKU.WHXB19900509

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双(N 氧化吡啶 2-甲醛)缩1,2-丙二胺镍配合物的合成和晶体结构

周忠远; 尹湛峰; 藏焰; 王国雄; 曾成; 戴安邦   

  1. 中国科学院成都分院分析测试中心；南京大学配位化学研究所
  • 收稿日期:1989-07-05 修回日期:1990-02-23 发布日期:1990-10-15
  • 通讯作者: 王国雄

Synthesis and Crystal Structure of Nickel (II) Complex with BIS-Schiff Bases From Picoli-naldehyde N-Oxide and 1,2-Propanediamine

Zhou Zhong-Yuan; Yin Zhan-Feng; Zang Yan; Wang Guo-Xiong; Zeng Cheng; Dai An-Bang   

  1. Chengdu Center of Analysis and Determination, Academia Sinica, Chengdu; Coordination Chemistry Institute, Nanjing University, Nanjing
  • Received:1989-07-05 Revised:1990-02-23 Published:1990-10-15
  • Contact: Wang Guo-Xiong

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摘要： 合成所得双(N-氧化吡啶-2-甲醛)缩1,2-丙二胺的镍(II)配合物[Ni(piopn)(H_2O)_2](ClO_4)_2的晶体属空间群C_s~4-C_c, 晶胞参数a=0.7397(3) nm, b=1.3187(7) nm, c=2.5502(14) nm, β=102.18(4)°. 用分子轨道理论的近似方法分析了该配合物的电子结构和分子轨道, 探讨了分子的结构特征与红外光谱的关系.

Abstract: A new nickel (II) complex with bis-schiff bases from picolinaldehyde N-oxide and 1,2-propanediamine, [Ni (piopn) (H_2O)_2] (ClO_4)_2 has been synthesised and its crystal structure has been determined. The crystal belongs to monoclinic system, space group C_c, with cell dimensions: a=0.7397(3) nm, b=1.3187(7) nm, c=2.5502(14) nm, β=102.18(4)°, V=224.10 nm, D_c=1.71 g·cm~(-3), F(000)=1135.8, μ=11.65 cm~(-1). According to the semiempirical MO theory calculation, the relationships between IR frequency shifts of ν_(C=N) and ν_(N-O) bands and their characteristics of chemical bonds have been discussed.