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
Cite this dataset as:
Buchard, A.,
2014.
Preliminary DFT study of the isomers of a Zirconium complexe of bipyrrolidine derived Salan ligand.
Figshare.
Available from: https://doi.org/10.6084/m9.figshare.1189338.
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Creators
Antoine Buchard
University of Bath
Contributors
Matthew Jones
Project Leader
University of Bath
Paul McKeown
Project Member
University of Bath
University of Bath
Rights Holder
Documentation
Data collection method:
DFT Protocol: rPBE0/6-31G(d)-LANL2dz Software: Gaussian09 rev C.01
Funders
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Doctoral Training Centre in Sustainable Chemical Technologies
EP/G03768X/1
University of Bath
https://doi.org/10.13039/501100000835
Whorrod Research Fellowship
Publication details
Publication date: 6 October 2014
by: Figshare
Version: 1
DOI: https://doi.org/10.6084/m9.figshare.1189338
URL for this record: https://researchdata.bath.ac.uk/113
Related papers and books
Jones, M. D., Hancock, S. L., McKeown, P., Schäfer, P. M., Buchard, A., Thomas, L. H., Mahon, M. F., and Lowe, J. P., 2014. Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide. Chem. Commun., 50(100), 15967-15970. Available from: https://doi.org/10.1039/c4cc07871c.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Antoine Buchard
Faculty of Science
Chemistry
