Autor según el artículo: Maniaki, Diamantoula; Garay-Ruiz, Diego; Barrios, Leoni A.; Martins, Daniel O. T. A.; Aguila, David; Tuna, Floriana; Reta, Daniel; Roubeau, Olivier; Bo, Carles; Aromi, Guillem;
Departamento: Química Física i Inorgànica
Autor/es de la URV: Bo Jané, Carles / Garay Ruiz, Diego
Palabras clave: Luminescence Ln(iii) Lanthanide complexes Gd Energy-transfer Contraction
Resumen: Heterometallic lanthanide [LnLn'] coordination complexes that are accessible thermodynamically are very scarce because the metals of this series have very similar chemical behaviour. Trinuclear systems of this category have not been reported. A coordination chemistry scaffold has been shown to produce molecules of type [LnLn'Ln] of high purity, i.e. exhibiting high metal distribution ability, based on their differences in ionic radius. Through a detailed analysis of density functional theory (DFT) based calculations, we discern the energy contributions that lead to the unparalleled chemical selectivity of this molecular system. Some of the previously reported examples are compared here with the newly prepared member of this exotic list, [Er2Pr(LA)(2)(LB)(2)(py)(H2O)(2)](NO3) (1) (H(2)LA and H2LB are two beta-diketone ligands). A magnetic analysis extracted from magnetization and calorimetry determinations identifies the necessary attributes for it to act as an addressable, conditional multiqubit spin-based quantum gate. Complementary ab initio calculations confirm the feasibility of these complexes as composite quantum gates, since they present well-isolated ground states with highly anisotropic and distinct g-tensors. The electronic structure of 1 has also been analyzed by EPR. Pulsed experiments have allowed the establishment of the quantum coherence of the transitions within the relevant spin states, as well as the feasibility of a coherent control of these states via nutation experiments.
Áreas temáticas: Química Materiais Interdisciplinar General chemistry Farmacia Ciências biológicas iii Ciências biológicas i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Astronomia / física
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
Direcció de correo del autor: carles.bo@urv.cat diego.garay@estudiants.urv.cat
Identificador del autor: 0000-0001-9581-2922
Fecha de alta del registro: 2024-09-07
Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
Enlace a la fuente original: https://pubs.rsc.org/en/content/articlelanding/2022/sc/d2sc00436d
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Chemical Science. 13 (19): 5574-5581
Referencia de l'ítem segons les normes APA: Maniaki, Diamantoula; Garay-Ruiz, Diego; Barrios, Leoni A.; Martins, Daniel O. T. A.; Aguila, David; Tuna, Floriana; Reta, Daniel; Roubeau, Olivier; B (2022). Unparalleled selectivity and electronic structure of heterometallic [LnLn ' Ln] molecules as 3-qubit quantum gates. Chemical Science, 13(19), 5574-5581. DOI: 10.1039/d2sc00436d
DOI del artículo: 10.1039/d2sc00436d
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2022
Tipo de publicación: Journal Publications