Funes-Ardoiz, Ignacio - Resultats de la cerca - Dipòsit Digital de Documents de la UAB

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Resultats globals: 4 registres trobats en 0.01 segons.
Articles, 4 registres trobats

Articles	4 registres trobats

6 p, 981.6 KB

Consecutive Ligand-Based Electron Transfer in New Molecular Copper-Based Water Oxidation Catalysts / Gil Sepulcre, Marcos (Barcelona Institute of Science and Technology (BIST)) ; Garrido Barros, Pablo (Barcelona Institute of Science and Technology (BIST)) ; Oldengott, Jan (Barcelona Institute of Science and Technology (BIST)) ; Funes-Ardoiz, Ignacio (Universitad de La Rioja) ; Bofill Arasa, Roger (Universitat Autònoma de Barcelona. Departament de Química) ; Sala Román, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Benet-Buchholz, Jordi (Barcelona Institute of Science and Technology (BIST)) ; Llobet Dalmases, Antoni (Universitat Autònoma de Barcelona. Departament de Química)
Water oxidation to dioxygen is one of the key reactions that need to be mastered for the design of practical devices based on water splitting with sunlight. In this context, water oxidation catalysts based on first-row transition metal complexes are highly desirable due to their low cost and their synthetic versatility and tunability through rational ligand design. [...]
2021 - DOI (Digital Object Identifier)

10.1002/anie.202104020
Angewandte Chemie (International ed. Internet), Vol. 60, Issue 34 (August 2021) , p. 18639-18644

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7 p, 1.5 MB

Accelerated Ru-Cu Trinuclear Cooperative C−H Bond Functionalization of Carbazoles : A Kinetic and Computational Investigation / Jones, Alexander W. (Technische Universität Kaiserslautern. Fachbereich Chemie) ; Rank, Christian K. (Technische Universität Kaiserslautern. Fachbereich Chemie) ; Becker, Yanik (Technische Universität Kaiserslautern. Fachbereich Chemie) ; Malchau, Christian (Technische Universität Kaiserslautern. Fachbereich Chemie) ; Funes-Ardoiz, Ignacio (Institut Català d'Investigació Química) ; Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química) ; Patureau, Frederic W. (Technische Universität Kaiserslautern. Fachbereich Chemie)
The mechanism of a trinuclear cooperative dehydrogenative C−N bond-forming reaction is investigated in this work, which avoids the use of chelate-assisting directing groups. Two new highly efficient Ru/Cu co-catalyzed systems were identified, allowing orders of magnitude greater TOFs than the previous state of the art. [...]
2018 - DOI (Digital Object Identifier)

10.1002/chem.201802886
Chemistry, Vol. 24, Issue 57 (October 2018) , p. 15178-15184

Registre complet -

11 p, 992.6 KB

Computational characterization of single-electron transfer steps in water oxidation / de Aguirre, Adiran (Institut Català d'Investigació Química) ; Funes-Ardoiz, Ignacio (Institut Català d'Investigació Química) ; Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química)
The presence of single-electron transfer (SET) steps in water oxidation processes catalyzed by first-row transition metal complexes has been recently recognized, but the computational characterization of this type of process is not trivial. [...]
2019 - DOI (Digital Object Identifier)

10.3390/INORGANICS7030032
Inorganics, Vol. 7, Issue 3 (March 2019) , art. 32

Registre complet -

6 p, 1.4 MB

Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMePh)] / Funes-Ardoiz, Ignacio (Institut Català d'Investigació Química) ; Nelson, David J. (University of Strathclyde) ; Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química)
Density functional theory (DFT) calculations have been used to study the oxidative addition of aryl halides to complexes of the type [Ni(PMePh)], revealing the crucial role of an open-shell singlet transition state for halide abstraction. [...]
2017 - DOI (Digital Object Identifier)

10.1002/chem.201702331
Chemistry, Vol. 23, Issue 66 (November 2017) , p. 16728-16733

Registre complet -

Vegeu també: autors amb noms similars
1	Funes-Ardoiz, Ignacio.

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