Published in

Elsevier, Polymer, 26(48), p. 7672-7678

DOI: 10.1016/j.polymer.2007.11.011

Links

Tools

Export citation

Search in Google Scholar

QSAR Model for Ethylene Polymerisation Catalysed by Supported Bis(imino)pyridine Iron Complexes

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Red circle
Postprint: archiving forbidden
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

We present a quantitative structureeactivity relationship study performed over a set of bis(imino)pyridine iron catalyst used for olefin po-lymerisation. The experimental results were previously obtained by our research group. The structural variability of this catalyst set is mainly focused on the substituents of the aryl rings. We managed to find a statistically robust model which correlates the experimentally determined polymer's molecular weight with the steric and electrostatic fields. As a result the main contribution comes from the steric contribution which amounts up to 75% of the model. The predictive capability of the model was successfully probed with a test set of catalyst reported in the literature by other research group.