GENERALIZED HUCKEL-MOBIUS RULE Academic Article uri icon

abstract

  • Within the framework of the simple Hckel molecular orbital model we present a "topological" generalization of the standard Hckel-Mbius rule concerning cycles of sizes 4 and 4 n + 2. This generalization says that the number of non-bonding orbitals as well as the balance between bonding and anti-bonding orbitals is preserved under a prescribed two-site "reductive" structural transformation, which for the special case of a single cycle (annulene) reduces in essence to the conventional Hckel-Mbius rule. 1992.

published proceedings

  • JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

author list (cited authors)

  • KLEIN, D. J., & BALABAN, A. T.

citation count

  • 5

complete list of authors

  • KLEIN, DJ||BALABAN, AT

publication date

  • July 1992