The structures of dimeric stereoisomeric tartrates of iron(III) as determined by molecular mechanics calculations

Abstract

The stereospecific formation of iron(III) complexes with d- and dl-taric acidsdH4L, dlH4L respectively) is discussed. Molecular mechanics calculations (mind program, model of Dashevsky-Plyamovatyi) are applied to modelling of dimeric tartrate Fe2(d-L)2 2- and Fe2(d-L)(l-L)2-(II) structures. Stereospecific formation is explained by lesser values of energy of rigid iron(III) octahedral coordination in (I). © 1995.