Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules

Autor:	Iñigo Iribarren, Dr. Goar Sánchez‐Sanz, Prof. José Elguero, Prof. Ibon Alkorta, Dr. Cristina Trujillo
Jazyk:	angličtina
Rok vydání:	2021
Předmět:	hydrogen storage coinage hydrides QTAIM Chemistry QD1-999
Zdroj:	ChemistryOpen, Vol 10, Iss 8, Pp 724-730 (2021)
Druh dokumentu:	article
ISSN:	2191-1363
DOI:	10.1002/open.202100108
Popis:	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.
Databáze:	Directory of Open Access Journals
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