高等学校化学学报

高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (12): 1601.

• 研究简报 • 上一篇    下一篇

苯基稀土钆配合物的成键性质研究

孟庆波1, 李振祥1, 林观阳1, 陈文启1, 郭纯孝2   

  1. 1. 中国科学院长春应用化学研究所, 稀土化学与物理开放实验室, 长春, 130022;
    2. 吉林大学化学系
  • 收稿日期:1991-12-12 修回日期:1992-10-22 出版日期:1992-12-24 发布日期:1992-12-24
  • 通讯作者: 孟庆波
  • 基金资助:

    国家自然科学基金

Studies on Bond Character of Phenyl Rare Earth Gadolinium Complex

MENG Qing-Bo1, LI Zhen-Xiang1, LIN Guan-Yang1, CHEN Wen-Qi1, GUO Chun-Xiao2   

  1. 1. Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Science, Changchun, 130022;
    2. Department of Chemistry, Jilin University, Changchun
  • Received:1991-12-12 Revised:1992-10-22 Online:1992-12-24 Published:1992-12-24

PDF (PC)

关键词: 苯基稀土钆配合物, INDO方法, 成键性质

Abstract: The electronic structure,bond character,and reaction mechanism of phenyl rare earth complex,C6H5GdCl2·4THF,have been studied by using INDO method.The results obtained show that the Lewis acidity of Gd ion is weakened and polarity of Gd-Cl bond is decreased in the ethyl ether with a weak polarity,and substitution of GdCl3 with phenyl lithium as soft base is forced.After electron-withdrawing phenyl substituted Cl,the positive charge of the rare earth ion is increased.The bond order of bond between phenyl and rare earth ion is larger than that of π bond between neutral benzene and rare earth ion,so the covalency of the former is larger than that of the latter.The redistribution of the valent charges caused by the phenyl coordination leads to the weakening of ortho and para C—H bonds of phenyl,and causes some reaction easily.

Key words: Phenyl rare earth gadolinium complex, INDO method, Bonding characteristics

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