STRUCTURE, BONDING, AND ASYMMETRIC INDUCTION IN (R,R)-2,3-DIMETHOXY-1,4-BIS(DIMETHYLAMINO)BUTANE COMPLEXES WITH ORGANOLITHIUM COMPOUNDS - ASEMIEMPIRICAL COMPUTATIONAL STUDY

Semiempirical PM3 calculations were performed on several organolithium complexes with (R,R)-2,3-dimethoxy-1, 4-bis(dimethylamino)butane. The calculations showed that the ligand binding mode is dependent on the aggregation state of the organolithium, and may bind via the nitrogen atoms, oxygen atoms, or both. The complex with t-butyilithium exists a s a monomer, while the complexes with several other organolithium comp ounds exist primarily as dimers. Complexes between the various chelate d forms of butyllilhium and propanal were examined in order to better understand the mechanism of asymmetric induction.