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Mechanistic Study for the Photochemical Reactions of d(6) M(CO)(5)(CS) (M = Cr, Mo, and W) Complexes
[Image: see text] The mechanisms of photoextrusion reactions are determined theoretically for the model system of six-coordinated M(CO)(5)(CS) (M = Cr, Mo, and W), using both CASSCF and MP2-CAS methods and the Def2-SVPD basis set. Three types of elimination reaction pathways (i.e., path I, path II,...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641059/ https://www.ncbi.nlm.nih.gov/pubmed/31457619 http://dx.doi.org/10.1021/acsomega.7b00380 |