%0 Journal Article
%T Simulation of Plasticity of Copper(II) Coordination Polyhedron by Means of an Empirical Force Field Method
%A Raos
%A Nenad
%A Simeon
%A Vladimir
%J -
%D 1985
%X Sa£¿etak The empirical force field method of conformational analysis was used in order to reproduce the distorted planar geometry of bis-eN-alkylsalicylaldiminato) copper(II) complexes. The problem was partly solved by introducing two apically bonded £¿dummy£¿ atoms. The parameters adjusted to reproduce the configuration of copper atom in the orthorhombic modification of ethylated derivative, were shown to be adequate for the calculation of epimer- -selectivity effect in epimeric (M(L-ligand) (L-ligand) and M(L- -Iigand) (D-ligand)) copper(II) complexes with N,N-dimethylvaline. Calculations on other, more distorted structures of N-substituted copper(II) bis-salicylaldiminates (substituents: ethyl, t-butyl and i-propyl) were not able to reproduce crystal geometries suggesting that the model is applicable only for small deviations from planarity
%U https://hrcak.srce.hr/index.php?show=clanak&id_clanak_jezik=261978