DFT Provides Insight into the Additive-Free Conversion of Aqueous Methanol to Dihydrogen Catalyzed by [Ru(trop(2)dad)]: Importance of the (Electronic) Flexibility of the Diazadiene Moiety

[Image: see text] The mechanism for complete dehydrogenation of aqueous methanol to CO(2) and three equivalents of H(2) catalyzed by [Ru(trop(2)dad)] was investigated with DFT (trop(2)dad = 1,4-bis(5H-dibenzo[a,d]cyclohepten-5-yl)-1,4-diazabuta-1,3-diene). To date, this is the only catalyst that pro...

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Detalles Bibliográficos
Autores principales: Sinha, Vivek, Trincado, Monica, Grützmacher, Hansjörg, de Bruin, Bas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6209174/
https://www.ncbi.nlm.nih.gov/pubmed/30215248
http://dx.doi.org/10.1021/jacs.8b09011

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6209174/
https://www.ncbi.nlm.nih.gov/pubmed/30215248
http://dx.doi.org/10.1021/jacs.8b09011

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