How metallylenes activate small molecules

We have studied the activation of dihydrogen by metallylenes using relativistic density functional theory (DFT). Our detailed activation strain and Kohn–Sham molecular orbital analyses have quantified the physical factors behind the decreased reactivity of the metallylene on going down Group 14, fro...

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Detalles Bibliográficos
Autores principales: Vermeeren, Pascal, Doppert, Michael T., Bickelhaupt, F. Matthias, Hamlin, Trevor A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179460/
https://www.ncbi.nlm.nih.gov/pubmed/34163718
http://dx.doi.org/10.1039/d0sc05987k

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179460/
https://www.ncbi.nlm.nih.gov/pubmed/34163718
http://dx.doi.org/10.1039/d0sc05987k

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