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Thermodynamic Properties of Hydrogen-Producing Cobaloxime Catalysts: A Density Functional Theory Analysis
[Image: see text] Density functional theory calculations were carried out to study the electrochemical properties including reduction potentials, pK(a) values, and thermodynamic hydricities of three prototypical cobaloxime complexes, Co(dmgBF(2))(2) (dmgBF(2) = difluoroboryl-dimethylglyoxime), Co(dm...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649079/ https://www.ncbi.nlm.nih.gov/pubmed/31459350 http://dx.doi.org/10.1021/acsomega.8b02107 |