Conformational analysis of coordination compounds: R-N,N,N',N'-Tetrakis-(2'-aminoethyl)-1,2-diaminopropanecobalt(III)

Abstract

The stereospecificity of the ligand, R-N,N,N?,N?-tetrakis(2?- aminoethyl)-1,2-diaminopropane, when coordinated as a sexadentate chelate to cobalt(III), has been investigated by an a priori calculation of the conformational energy difference between the various possible absolute configurations of the complex. It has been shown that the L isomer is more stable than the D isomer by an extremely large energy difference which is due mainly to van der Waals interactions. Some of the terms which contribute to conformational energy differences between metal complexes have not been considered previously.