Theoretical studies of the structure and aromaticity of conjugation four-membered ring continuum with simple combination procedure of combining Kekule structures

DOI

Bibliographic Information

Other Title
  • ケクレ構造の組み合わせによる共役四員環連続体の構造及び芳香族性の予測

Description

Because the number of pi electrons on the carbon rings is 4n, it can be classified cyclobutadiene into anti-aromatic compound. However, the aromaticity or anti-aromaticity for cyclobutadienoids series(butalene, bicyclobutadienylene, etc.) is unknown. In this conference, the geometries and the aromaticity for condensed cyclobutadienoid series are reported on the basis of ab initio MO theories. The stationary point structure of the series are also predicted by a simple selected combination of Kekule structures.

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Keywords

Details 詳細情報について

  • CRID
    1390282680531385088
  • NII Article ID
    130004728900
  • DOI
    10.11494/kisoyuki.2009.0.279.0
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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