Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand

Article title:

Zirconium complexes of bipyrrolidine derived Salan ligands for the isoselective polymerisation of rac-lactide

Authors:

Matthew D. Jones,* Stuart L. Hancock, Paul McKeown, Pascal M. Schäfer, Antoine Buchard, Lynne H. Thomas, Mary F. Mahon,* and John P. Lowe

DFT study: Computed free enthalpies of the potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex

Protocol: rPBE0/6-31G(d)-LANL2dz

Content: Gaussian09 rev C.01 output files