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:
Full Papers
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
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author Iribarren, Iñigo
Sánchez‐Sanz, Goar
Elguero, José
Alkorta, Ibon
Trujillo, Cristina
author_facet Iribarren, Iñigo
Sánchez‐Sanz, Goar
Elguero, José
Alkorta, Ibon
Trujillo, Cristina
author_sort Iribarren, Iñigo
collection PubMed
description 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.
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spelling pubmed-83400722021-08-11 Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules Iribarren, Iñigo Sánchez‐Sanz, Goar Elguero, José Alkorta, Ibon Trujillo, Cristina ChemistryOpen Full Papers 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. John Wiley and Sons Inc. 2021-07-28 /pmc/articles/PMC8340072/ /pubmed/34319005 http://dx.doi.org/10.1002/open.202100108 Text en © 2021 The Authors. Published by Wiley-VCH GmbH https://creativecommons.org/licenses/by-nc/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc/4.0/ (https://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Full Papers
Iribarren, Iñigo
Sánchez‐Sanz, Goar
Elguero, José
Alkorta, Ibon
Trujillo, Cristina
Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
title Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
title_full Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
title_fullStr Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
title_full_unstemmed Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
title_short Reactivity of Coinage Metal Hydrides for the Production of H(2) Molecules
title_sort reactivity of coinage metal hydrides for the production of h(2) molecules
topic Full Papers
url 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
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AT elguerojose reactivityofcoinagemetalhydridesfortheproductionofh2molecules
AT alkortaibon reactivityofcoinagemetalhydridesfortheproductionofh2molecules
AT trujillocristina reactivityofcoinagemetalhydridesfortheproductionofh2molecules

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