Published in
Royal Society of Chemistry, Chemical Science, 37(13), p. 11091-11098, 2022
DOI: 10.1039/d2sc04235e
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Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs
Journal article published in 2022 by
David Trummer,
Anna Giorgia Nobile,
Pierre-Adrien Payard 
,
Anton Ashuiev,
Yuya Kakiuchi,
Daniel Klose ,
Gunnar Jeschke,
Christophe Copéret
,
Anton Ashuiev,
Yuya Kakiuchi,
Daniel Klose ,
Gunnar Jeschke,
Christophe Copéret
This paper is made freely available by the publisher.
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Abstract
A combined SOMC and DFT studies on the Union Carbide catalyst enable to propose that Cr(iii)-H, formed at high-loading, are active in ethylene polymerization. We therefore design a well-defined supported CpCr(iii)-R ethylene polymerization catalyst.