Theoretical study by AM1 of the metacyclophanes anti-[2]metacyclo[2](1,3)naphthalenophane-1,11-diene, dihydropyrene and benzo[a]pyrene

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Abstract

The AM1 method was used to perform a theoretical study of optimized geometries and energies of metacyclophanes. Many of these compounds are highly strained, and it is of interest to compare the chemical and geometrical consequences of such strain. A novel approach to predicting the global energy minima is presented.

References (14)

  • H.R. Blattmann et al.

    Tetrahedron

    (1970)
  • M.L. Lee et al.
    (1981)
  • E. Grushka
    (1984)
  • R.H. Mitchell

    Isr. J. Chem.

    (1980)
  • R.H. Mitchell et al.

    J. Am. Chem. Soc.

    (1974)
  • Ch. Elschenbroich et al.

    J. Am. Chem. Soc.

    (1977)
  • R.H. Mitchell et al.

    J. Am. Chem. Soc.

    (1982)
There are more references available in the full text version of this article.

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