Original scientific paper

Topological Effect on Molecular Orbitals. Part 8. A Study of Two Further Classes of Topologically Related Isomers.

Ante Graovac ; Institute »Ruder Boskovic«, 41001 Zagreb, POB 1016, Croatia, Yugoslavia
Oskar E. Polansky ; Max-Planck-Institut fur Strahlenchemie, Stiftstr. 34-36, 4330 Mulheim/Ruhr, F. R. Germany

Abstract

The family of isomers which exhibit the Topological Effect
on Molecular Orbitals (TEMO) is enlarged by two further classes.
The conditions which the central fragment C (used in the construction
of isomers) must satisfy so that a minimum of inversions
occurs are analyzed. The inversions in TEMO and the predictions
on the HOMO-LUMO separation of topologically related isomers
are discussed for different central fragments. The findings are
supported by simple MO-calculations and by a series of experimental
data.

Keywords

Hrčak ID:

194045

URI

https://hrcak.srce.hr/194045

Publication date:

21.5.1985.

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