Autor según el artículo: Gonzalez-Fabra, Joan; Bandeira, Nuno A. G.; Velasco, Veronica; Barrios, Leoni A.; Aguila, David; Teat, Simon J.; Roubeau, Olivier; Bo, Carles; Aromi, Guillem;
Departamento: Química Física i Inorgànica
Autor/es de la URV: Bo Jané, Carles
Palabras clave: Supramolecular chemistry Strategies Recognition Química supramolecular Luminescence Ln(iii) Lanthanides Ions Heterometallic lanthanide complexes Functional molecules Dft calculations Design Density functional calculations Coordination chemistry Contraction Behavior Approximation lanthanides functional molecules density functional calculations coordination chemistry
Resumen: The solid-state and solution configurations of the heterodimetallic complexes (Hpy)[LaEr(HL)3(NO3)(py)(H2O)] (1), (Hpy)[CeEr(HL)3(NO3)(py)(H2O)] (2), (Hpy)[CeGd(HL)3(NO3)(py)(H2O)] (3), (Hpy)[PrSm(HL)3(NO3)(py)(H2O)] (4), and (Hpy)2[LaYb(HL)3(NO3)(H2O)](NO3) (5), in which H3L is 6-(3-oxo-3-(2-hydroxyphenyl)propionyl)pyridine-2-carboxylic acid and py is pyridine, were analyzed experimentally and by using DFT calculations. Complexes 3, 4, and 5 are described here for the first time, and were analyzed by using single-crystal X-ray diffraction and mass spectrometry. The theoretical study was also extended to the [LaCe] and [LaLu] analogues. The results are consistent with a remarkable selectivity of the metal distribution within the molecule in the solid state, enhanced by the size difference between the different ions. This selectivity was reduced in solution, particularly for ions with the most similar radii. This unique entry into 4f-4f′′ heterometallic chemistry establishes for the first time the difference between the selectivity in solution and that in the solid state, as a result of changes to the coordination that follow the dissociation of terminal ligands upon dissolution of the complexes.
Áreas temáticas: Química Organic chemistry Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências agrárias i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Biotecnología Biodiversidade 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
Identificador del autor: 0000-0001-9581-2922
Fecha de alta del registro: 2024-08-31
Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Chemistry-A European Journal. 23 (21): 5117-5125
Referencia de l'ítem segons les normes APA: Gonzalez-Fabra, Joan; Bandeira, Nuno A. G.; Velasco, Veronica; Barrios, Leoni A.; Aguila, David; Teat, Simon J.; Roubeau, Olivier; Bo, Carles; Aromi, (2017). Thermodynamic Stability of Heterodimetallic [LnLn'] Complexes: Synthesis and DFT Studies. Chemistry-A European Journal, 23(21), 5117-5125. DOI: 10.1002/chem.201700095
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2017
Tipo de publicación: Journal Publications
Repositori URV