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

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

Subjects:
Catalysis and surfaces
Chemical measurement
Chemical synthesis
Materials sciences

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. https://doi.org/10.6084/m9.figshare.1420458.

Export

Contributors

Matthew J. Jones
Project Leader
Chemistry

Paul McKeown
Project Member
CSCT

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 (EPSRC)
https://doi.org/10.13039/501100000266

DTC in Sustainable Chemical Technologies
EP/G03768X/1

Whorrod Research Fellowship

Publication details

Publication date: 20 May 2015
by: figshare

Version: 1

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

DOI: https://doi.org/10.6084/m9.figshare.1420458

URL for this record: https://researchdata.bath.ac.uk/id/eprint/108

Related articles

http://opus.bath.ac.uk/45443

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Antoine Buchard

Departments:

Faculty of Science
Chemistry