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Unconventional Stereoerror Formation Mechanisms in Nonmetallocene Propene Polymerization Systems Revealed by DFT Calculations

[Image: see text] An unconventional mechanism for the stereoerror formation in propene polymerization catalyzed by C(1)-symmetric salalen-M systems (M = Zr, Hf) is suggested by DFT calculations. While propagation happens with the ligand in its fac-mer conformation, a change of ligand wrapping mode f...

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Detalles Bibliográficos
Autores principales: Romano, Eugenio, Budzelaar, Peter H.M., De Rosa, Claudio, Talarico, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9483984/
https://www.ncbi.nlm.nih.gov/pubmed/36054494
http://dx.doi.org/10.1021/acs.jpca.2c04935