Autor segons l'article: Toupalas, Georgios; Karlsson, Joshua; Black, Fiona A.; Masip-Sanchez, Albert; Lopez, Xavier; Ben M'Barek, Youssef; Blanchard, Sebastien; Proust, Anna; Alves, Sandra; Chabera, Pavel; Clark, Ian P.; Pullerits, Tonu; Poblet, Josep M.; Gibson, Elizabeth A.; Izzet, Guillaume;
Departament: Química Física i Inorgànica
Autor/s de la URV: López Fernández, Javier / Masip Sánchez, Albert / Poblet Rius, Josep Maria
Paraules clau: Zinc cytochrome-c Visible-light Redox potentials Polyoxometalates Polyoxometalate Noncovalent interactions Molecular dynamic simulations Kinetics Functionalization Energy Electron transfer Elaboration Donor-acceptor systems Charge-transfer Catalyst dyads
Resum: The optical and electrochemical properties of a series of polyoxometalate (POM) oxoclusters decorated with two bodipy (boron-dipyrromethene) light-harvesting units were examined. Evaluated here in this polyanionic donor-acceptor system is the effect of the solvent and associated counterions on the intramolecular photoinduced electron transfer. The results show that both solvents and counterions have a major impact upon the energy of the charge-transfer state by modifying the solvation shell around the POMs. This modification leads to a significantly shorter charge separation time in the case of smaller counterion and slower charge recombination in a less polar solvent. These results were rationalized in terms of Marcus theory and show that solvent and counterion both affect the driving force for photoinduced electron transfer and the reorganization energy. This was corroborated with theoretical investigations combining DFT and molecular dynamics simulations.
Àrees temàtiques: Química Medicina ii Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Astronomia / física
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: albert.masip@urv.cat albert.masip@urv.cat josepmaria.poblet@urv.cat javier.lopez@urv.cat
Identificador de l'autor: 0000-0002-4533-0623 0000-0003-0322-6796
Data d'alta del registre: 2024-07-27
Versió de l'article dipositat: info:eu-repo/semantics/acceptedVersion
Enllaç font original: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202014677
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: Angewandte Chemie (International Ed. Print). 60 (12): 6518-6525
Referència de l'ítem segons les normes APA: Toupalas, Georgios; Karlsson, Joshua; Black, Fiona A.; Masip-Sanchez, Albert; Lopez, Xavier; Ben M'Barek, Youssef; Blanchard, Sebastien; Proust, Anna; (2021). Tuning Photoinduced Electron Transfer in POM-Bodipy Hybrids by Controlling the Environment: Experiment and Theory. Angewandte Chemie (International Ed. Print), 60(12), 6518-6525. DOI: 10.1002/anie.202014677
DOI de l'article: 10.1002/anie.202014677
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2021
Tipus de publicació: Journal Publications
Repositori URV