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A quantum chemical study of the mechanisms of olefin addition to group 9 transition metal dioxo compounds
The mechanistic aspects of ethylene addition to MO(2)(CH(2))(CH(3)) (M=Co, Rh, Ir) have been investigated with a Hartree–Fock/DFT hybrid functional at the MO6/LACVP* and B3LYP/LACVP* levels of theory to elucidate the reaction pathways on the singlet, doublet and triplet potential energy surfaces (PE...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4920779/ https://www.ncbi.nlm.nih.gov/pubmed/27386316 http://dx.doi.org/10.1186/s40064-016-2582-x |