Revisiting the polytopal rearrangements in penta-coordinate d(7)-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization

This paper provides a first-principles theoretical investigation of the polytopal rearrangements and fluxional behavior of five-coordinate d(7)-transition metal complexes. Our work is primarily based on a potential energy surface analysis of the iron tetracarbonyl hydride radical HFe˙(CO)(4). We dem...

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Detalles Bibliográficos
Autores principales: Asatryan, Rubik, Ruckenstein, Eli, Hachmann, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5618771/
https://www.ncbi.nlm.nih.gov/pubmed/28970931
http://dx.doi.org/10.1039/c7sc00703e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5618771/
https://www.ncbi.nlm.nih.gov/pubmed/28970931
http://dx.doi.org/10.1039/c7sc00703e

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