Remote asymmetric induction

The synthesis and characterization of substrates suitable for the study of [1,3]-, [1,4]- and [l,5]-asymmetric induction was undertaken. Their reduction in the presence of Lewis acids was investigated. The extent and direction of asymmetric induction was investigated by variation of Lewis acid, solvent and reducing agent. Competing mechanisms in [1,5]-symmetric reductions was demonstrated. Molecular mechanics calculations were used to predict the extent and direction of asymmetric induction on the basis of the lower energy conformers of suitable model structures. Crystal structures were used to develop a set of MM2 force field parameters for an octahedral titanium complex. An ab initio study was prepared in order to improve the parameterization of the MM2 force field.