物理化学学报 >> 1989, Vol. 5 >> Issue (03): 305-309.doi: 10.3866/PKU.WHXB19890311

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N-氧化吡啶-2-甲醛衍生物的配合物研究——(Ⅱ)与二胺生成的双希夫碱铜配合物的电子结构

王国雄; 尹湛峰; 臧焰; 陆勤; 曾成   

  1. 南京大学配位化学研究所
  • 收稿日期:1987-10-10 修回日期:1988-05-29 发布日期:1989-06-15
  • 通讯作者:

STUDIES ON COORDINATION COMPOUNDS WITH PICOLINALDEHYDE N-OXIDE DERIVATIVES AS LIGANDS——(Ⅱ) ELECTRONIC STRUCTURES OF CUPRIC COMPLEXES WITH BISSCHIFF BASES FROM PICOLINALDEHYDE N-OXIDE AND DIAMINES

Wang Guoxiong*; Yin Zhanfeng; Zang Yan; Lu Qin; Zeng Cheng   

  1. Coordination Chemistry Institute; Nanjing University
  • Received:1987-10-10 Revised:1988-05-29 Published:1989-06-15
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摘要： 用CNDO/2方法计算N-氧化吡啶-2-甲醛缩1,3-丙二胺合铜离子[Cu(piotn)(H_2O)_2]~(2+)和N-氧化吡啶-2-甲醛缩乙二胺合铜离子[Cu(pioen)(H_2O)]~(2+)的电子结构。以原子净电荷的变化和配合物大π键的形成说明配合物形成后红外谱中~vN-o波数少减和~vC=N波数增加的原因。

Abstract: The electronic structures of [Cu(piotn) (H_2O)2]~(2+) and [Cu(pioen) (H_2O)_2]~(2+) ions,where piotn is N,N′-trimethylene bis(N-oxopicolinaldimine) and pioen is N, N′-ethylene bis(N-oxopicolinaldimine), have been calculated by CNDO/2 method.Using the change of atomic net charges and formation of dolocalized π bond, we explain the directions of wave number shifts of ν_(N-O) and ν_(C=N) in their infrared spectra after the complexes have been formed.