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Reactivity of Coinage Metal Hydrides for the Production of H₂ Molecules.

ABSTRACT: 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.

SUBMITTER: Iribarren I

PROVIDER: S-EPMC8340072 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

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Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules.

Iribarren Iñigo I Sánchez-Sanz Goar G Elguero José J Alkorta Ibon I Trujillo Cristina C

ChemistryOpen 20210728 8

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 ...[more]

PMID: 34319005

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