Cargando…
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...
| Autores principales: | , , , |
|---|---|
| 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 |