THE STRUCTURES OF DIMERIC STEREOISOMERIC TARTRATES OF IRON(III) AS DETERMINED BY MOLECULAR MECHANICS CALCULATIONS

The stereospecific formation of iron(III) complexes with d- and dl-tar taric acids (dH(4)L, dH(4)L respectively) is discussed. Molecular mech anics calculations (MIND program, model of Dashevsky-Plyamovatyi) are applied to modelling of dimeric tartrate Fe-2(d-L)(2)(2-) and Fe-2(d-L )(l-L)(2-)(II) structures. Stereospecific formation is explained by le sser values oi energy of rigid iron(III) octahedral coordination in (I ).