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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2017
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| Materias: | |
| 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 |