Alkaline Earth Metals Activate N(2) and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis Study

Following the recent discovery of stable octa‐coordinated alkaline earth metals with N(2) and CO, the role of group II metals in the catalytic reduction of these ligands by means of density functional theory (DFT) calculations and conceptual DFT‐based reactivity indices is investigated. Cubic group ...

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Detalles Bibliográficos
Autores principales: Bettens, Tom, Pan, Sudip, De Proft, Frank, Frenking, Gernot, Geerlings, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7589404/
https://www.ncbi.nlm.nih.gov/pubmed/32515082
http://dx.doi.org/10.1002/chem.202001585

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7589404/
https://www.ncbi.nlm.nih.gov/pubmed/32515082
http://dx.doi.org/10.1002/chem.202001585

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