DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide
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
Cite this dataset as:
Buchard, A.,
2015.
DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide.
Figshare.
Available from: https://doi.org/10.6084/m9.figshare.1420458.
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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: rwb97XD/6-311+G(d) (Al,N,O)-6-31g(d) (C,H)/cpcm=toluene/T=353.1K 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: 20 May 2015
by: Figshare
Version: 1
DOI: https://doi.org/10.6084/m9.figshare.1420458
URL for this record: https://researchdata.bath.ac.uk/id/eprint/108
Related papers and books
Jones, M. D., Brady, L., McKeown, P., Buchard, A., Schäfer, P. M., Thomas, L. H., Mahon, M. F., Woodman, T. J., and Lowe, J. P., 2015. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide. Chemical Science, 6(8), 5034-5039. Available from: https://doi.org/10.1039/c5sc01819f.
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
