DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide
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Complexes of bipyrrolidine derived Salan ligands for the iso- and hetero- selective polymerisation of rac-lactide
Matthew D. Jones,* Lauren Brady, Paul McKeown, Antoine Buchard, Pascal M. Schäfer, Lynne H. Thomas, Mary F. Mahon, Timothy J. Woodman and John P. Lowe
DFT study: Computed free enthalpies of the potential isomers of some Al(IV) meso-2,2’-bipyrrolidine-salan derived complexes
Protocol: rwb97XD/6-311+G(d) (Al,N,O)-6-31g(d) (C,H)/cpcm=toluene/T=353.1K
Content: Gaussian09 rev C.01 output files