Original scientific paper

Structure and Properties of Small Ring Propellanes by the IMO Method

Dragan Lj. Vučković ; Boris Kidrič Institute of Nuclear Sciences-Vinča, Department of Chemistry, P. 0. Box 522, 11001 Beograd, Yugoslavia
Ljubica Vujisić ; Boris Kidrič Institute of Nuclear Sciences-Vinča, Department of Chemistry, P. 0. Box 522, 11001 Beograd, Yugoslavia

Abstract

Small ring propellanes containing only three and four membered
rings were studied by using the IMO (Iterative Maximum .
Overlap) method. In order to calculate their geometries, a new
relationship between bond overlaps and bond lengths for propellane
central bonds was obtained. The calculated geometries, along with
bond lengths and bond angles, for the first time contain all the
dihedral angles between different rings. The hybridization parameters,
strain and central bond energies were calculated in order
to discuss their chemical stability, and it was shown that the
smallest member [1.1.l]propellane is the most stable molecule in
this series.

Keywords

Hrčak ID:

194056

URI

https://hrcak.srce.hr/194056

Publication date:

14.1.1985.

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