DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide

Dataset

Description

Article title:

Complexes of bipyrrolidine derived Salan ligands for the iso- and hetero- selective polymerisation of rac-lactide

Authors:

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
Date made available20 May 2015
PublisherFigshare

Research Output

Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived Salan ligands for the polymerisation of rac-lactide

Jones, M., Brady, L., Mckeown, P. M., Buchard, A., Schafer, P. M., Thomas, L. H., Mahon, M. F., Woodman, T. J. & Lowe, J. P., 1 Aug 2015, In : Chemical Science. 6, 8, p. 5034-5039 6 p.

Research output: Contribution to journalArticle

Open Access
  • 67 Citations (Scopus)
    52 Downloads (Pure)

    Projects

    Doctoral Training Centre in Sustainable Chemical Technologies

    Davidson, M.

    1/10/0931/03/18

    Project: Research-related funding

    Cite this

    Buchard, A. (Creator), Jones, M. (Project Leader), McKeown, P. (Project Member) (20 May 2015). DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide. Figshare. 10.6084/m9.figshare.1420458