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


Buchard, A., 2015. DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide. figshare. https://doi.org/10.6084/m9.figshare.1420458.


Original data publication URL: http://dx.doi.org/10.6084/m9.figshare.1420458

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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

Title: DFT Study of Aluminium complexes of bipyrrolidine derived Salan ligands for the hetero- selective polymerisation of rac-lactide
Subjects: Catalysis and surfaces > Catalysis and Applied Catalysis
Chemical measurement > Chemical Structure
Chemical synthesis > Co-ordination Chemistry
Materials sciences > Biomaterials
Departments: Faculty of Science > Chemistry
DOI: https://doi.org/10.6084/m9.figshare.1420458
URI: http://researchdata.bath.ac.uk/id/eprint/108
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