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The mechanistic investigations of photochemical decarbonylations and oxidative addition reactions for M(CO)(5) (M = Fe, Ru, Os) complexes
The mechanisms for the photochemical CO-dissociation and the oxidative addition reactions are studied theoretically using three model systems: M(CO)(5) (M = Fe, Ru, and Os) and the CASSCF/Def2-SVP (fourteen-electron/ten-orbital active space) and MP2-CAS/Def2-SVP//CASSCF/Def2-SVP methods. The structu...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059829/ https://www.ncbi.nlm.nih.gov/pubmed/35520498 http://dx.doi.org/10.1039/c8ra07669c |