Autor segons l'article: 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;
Departament: Química Física i Inorgànica
Autor/s de la URV: Bo Jané, Carles / Garay Ruiz, Diego
Paraules clau: Luminescence Ln(iii) Lanthanide complexes Gd Energy-transfer Contraction
Resum: 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.
Àrees temàtiques: Química Materiais Interdisciplinar General chemistry Farmacia Ciências biológicas iii Ciências biológicas i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Astronomia / física
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: carles.bo@urv.cat diego.garay@estudiants.urv.cat
Identificador de l'autor: 0000-0001-9581-2922
Data d'alta del registre: 2024-09-07
Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
Enllaç font original: https://pubs.rsc.org/en/content/articlelanding/2022/sc/d2sc00436d
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: Chemical Science. 13 (19): 5574-5581
Referència 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 de l'article: 10.1039/d2sc00436d
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2022
Tipus de publicació: Journal Publications