Photochemical activation of carbon dioxide in Mg(+)(CO(2))(H(2)O)(0,1)

We combine multi-reference ab initio calculations with UV–VIS action spectroscopy to study photochemical activation of CO(2) on a singly charged magnesium ion, [MgCO(2)(H(2)O)(0,1)](+), as a model system for the metal/ligand interactions relevant in CO(2) photochemistry. For the non-hydrated species...

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Detalles Bibliográficos
Publicado en:Theor Chem Acc
Main Authors: Pascher, Tobias F., Barwa, Erik, van der Linde, Christian, Beyer, Martin K., Ončák, Milan
Formato: Artigo
Idioma:Inglês
Publicado: Springer Berlin Heidelberg 2020
Assuntos:
Regular Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7335376/
https://ncbi.nlm.nih.gov/pubmed/32655309
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-020-02640-w
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