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The electronic structure of bicyclo [2.2.1] heptane and of bicyclo [2.2.2] octane (1974)

Lehn, J. M. ; Wipff, G.

Springer

Theoretical chemistry accounts 33 (1974), S. 43-50

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ISSN: 1432-2234

Keywords: Bicyclo[2.2.1]heptane ; Bicyclo[2.2.2]octane

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract An ab initia SCF-LCAO-MO study of bicyclo [2.2.1] heptane(I) and of bicyclo [2.2.2] octane(II) has been performed. The electronic structure and the nature of the molecular orbitals and of the bonds have been analyzed. Interactions between fragment orbitals may be recognized. The bridgehead C-H bonds interact dominantly “through-space” in I and “through-bond” in II. Some relations between electronic structure and molecular properties are discussed.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00527624

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