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Promotion of B(C(6)F(5))(3) as Ligand for Titanium (or Vanadium) Catalysts in the Copolymerization of Ethylene and 1-Hexene: A Computational Study

Density functional theory (DFT) is employed to investigate the promotion of B(C(6)F(5))(3) as a ligand for titanium (or vanadium) catalysts in ethylene/1-hexene copolymerization reactions. The results reveal that (I) Ethylene insertion into Ti(B) (with B(C(6)F(5))(3) as a ligand ) is preferred over...

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Detalles Bibliográficos
Autores principales: Yu, Shuyuan, Zhang, Chenggen, Wang, Fei, Liang, Xinru, Yang, Mengyao, An, Mengyu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10255729/
https://www.ncbi.nlm.nih.gov/pubmed/37299237
http://dx.doi.org/10.3390/polym15112435