高等学校化学学报 ›› 1986, Vol. 7 ›› Issue (3): 271.

• 研究论文 • 上一篇    下一篇

开环夹心化合物(Ⅳ)—2,4-二甲基戊二烯钒的电子结构

赵文运, 刘举正   

  1. 吉林大学理论化学研究所
  • 收稿日期:1984-10-29 出版日期:1986-03-24 发布日期:1986-03-24
  • 基金资助:

    中国科学院科学基金

Open Metallocene (Ⅳ)—Electron Structure of Bis(dimethylpentadienyI)Vanadium

Zhao Wenyun, Liu Juzhen   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun
  • Received:1984-10-29 Online:1986-03-24 Published:1986-03-24

摘要: 用EHMO方法对钒的2,4-二甲基戊二烯开环夹心化合物及其Lewis碱的加合物做了量子化学计算,说明了它们的磁性、稳定性、戊二烯上的取代甲基和Lewis碱配位体的作用及构型等问题。

Abstract: Bis(2,4-dimethylpentadienyl)vanadium, an open vanadocene, and its adducts of various Lewis bases bave been analyzed in detail by EHMOprocedure, and the obtained results could reasonably explain their magnetism, stability, the effect of substitutive methyl on pentadienyl and Lewis bases, and configuration as well. Moreover the formation and properties of similar compounds have been predicted.

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