Ethene Dimerization on Zeolite-Hosted Ni Ions: Reversible Mobilization of the Active Site

[Image: see text] The active site in ethene oligomerization catalyzed by Ni-zeolites is proposed to be a mobile Ni(II) complex, based on density functional theory-based molecular dynamics (DFT-MD) simulations corroborated by continuous-flow experiments on Ni-SSZ-24 zeolite. The results of the simula...

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Detalles Bibliográficos
Autores principales: Brogaard, Rasmus Yding, Kømurcu, Mustafa, Dyballa, Michael Martin, Botan, Alexandru, Van Speybroeck, Veronique, Olsbye, Unni, De Wispelaere, Kristof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6559053/
https://www.ncbi.nlm.nih.gov/pubmed/31205799
http://dx.doi.org/10.1021/acscatal.9b00721

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6559053/
https://www.ncbi.nlm.nih.gov/pubmed/31205799
http://dx.doi.org/10.1021/acscatal.9b00721

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