Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2

Dataset

Description

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 some potential isomers of a Zr(IV) meso-2,2’-bipyrrolidine-salan derived complex

Protocol: M06-2X /cc-pVTZ/ ECP28MDF/ SCRF=(cpcm,solvent= chloroform)

Content: Gaussian09 rev C.01 output files
Date made available6 Oct 2014
PublisherFigshare

Research Output

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

Jones, M. D., Hancock, S. L., McKeown, P., Schäfer, P. M., Buchard, A., Thomas, L. H., Mahon, M. F. & Lowe, J. P., 10 Nov 2014, In : Chemical Communications. 50, 100, p. 15967-15970

Research output: Contribution to journalArticle

Open Access
File
  • 83 Citations (Scopus)
    112 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) (6 Oct 2014). Advanced optimisations of fac-mer and trans-meso isomers of Zr(3)(OiPr)2. Figshare. 10.6084/m9.figshare.1190538