Chem. J. Chinese Universities ›› 1981, Vol. 2 ›› Issue (4): 474.

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THE STRUCTURAL EFFECT IN FORKED CONJUGATIVE SYSTEMS-Ⅱ-MOLECULAR ORBITAL ENERGY AND BOND ORDER

Chen Zhendong1, Jiang Mingqian2   

  1. 1. Department of Chemistry, Zhengzhou University, Zhengzhou;
    2. Institute of Chemistry, The Chinese Academy of Sciences, Beijing
  • Received:1980-09-05 Online:1981-12-24 Published:1981-12-24

Abstract: In this paper the energies for the four highest occupied molecular orbitals E1, E2, E3 and E4, and the energy differences ΔE1 between the HOMO and the LUMO for three types of forked conjugative polyenic compounds have been calculated by the HMO method. The three types of the forked conjugative systems dealt with in this paper have been designated as the amphi-direction-,the bifurcation-, and the concourse-type of compounds, and are exemplified by 2-vinyl-polyenes (A), α-methylene polyenic dicar-bonyl compounds (B), and vinyl polyenyl ketones(C), respectively.

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