Original scientific paper

Conformational Analysis of Bis-(N,N-Dimethylisoleucinato)copper(II): Estimation of the Diastereoselectivity Effect by Means of two Approximate Methods

Nenad Raos ; Institute for Medical Research and Occupational Health, 41001 Zagreb, Croatia, Yugoslavia
Vladimir Simeon ; Institute for Medical Research and Occupational Health, 41001 Zagreb, Croatia, Yugoslavia

Abstract

The consistent force field (CFF) method was used to calculate ·
the energies and geometries of the conformers of two diastereomeric
species ([Cu(L-ligand)2] and [Cu(L-ligand) (o-ligand)] isomers)
of bis-(N,N-dimethylisoleucinato)copper(II) complex. By means of
two approximate methods (consistent within 0.02 kJ mol-1), it was
possible to estimate the diastereoselectivity effect knowing the true
energies of only 32 lowest conformes. The calculated diastereoselectivity
effect is in rough accordance with the experimentally
measured values and, besides, is equal to the value predicted for
the analogous N,N-dimethylvalinato complexes.

Keywords

Hrčak ID:

194082

URI

https://hrcak.srce.hr/194082

Publication date:

14.1.1985.

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