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Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules

The formation of molecular hydrogen as well as the possibility of using coinage metal hydrides as a prospective complex to produce hydrogen was presented in this work. Therefore, the reactions involving the interaction between two coinage metal hydrides, MH (M=Cu, Ag and Au, homo and heterodimers),...

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Detalles Bibliográficos
Autores principales: Iribarren, Iñigo, Sánchez‐Sanz, Goar, Elguero, José, Alkorta, Ibon, Trujillo, Cristina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340072/
https://www.ncbi.nlm.nih.gov/pubmed/34319005
http://dx.doi.org/10.1002/open.202100108
Descripción
Sumario:The formation of molecular hydrogen as well as the possibility of using coinage metal hydrides as a prospective complex to produce hydrogen was presented in this work. Therefore, the reactions involving the interaction between two coinage metal hydrides, MH (M=Cu, Ag and Au, homo and heterodimers), were studied. The free energy profiles corresponding to aforementioned complexation were analysed by means of ab initio methods of quantum chemistry. The characteristics of these intermediates, final complexes and the electron density properties of the established interactions were discussed.