Autor segons l'article: Maxim, Catalin; Saureu, Sergi; de Graaf, Coen; Ferlay, Sylvie; Hosseini, Mir Wais; Robert, Vincent; Train, Cyrille;
Departament: Química Física i Inorgànica
Autor/s de la URV: De Graaf, Cornelis
Paraules clau: Transition-metal-complexes Tectonics Ox Molecule-based magnets Manganese Magnetic properties M-iii Ligand Hydrogen bonds Fe Design Chromium Binuclear complexes Bimetallic complexes Ab initio calculations
Resum: Three X2+bisamidinium dications are inserted into oxalate-based dimetallic [MnCr] compounds of formula X[MnII(CH3OH)CrIII(ox)3]2·nS [X2+= C14N4H20 2+(cation A2+, compound 1), C14O2N4H20 2+(cation B2+, compound 2), C16N4H24 2+(cation C2+, compound 3); n = 4 (1-2), 2 (3); S = CH3OH (1-2), CH3CN (3); ox = oxalate]. Single-crystal X-ray analysis of 1-3 reveals that Mn-Cr oxalate-bridged dimetallic coordination networks form corrugated two-dimensional (2D) layers based on heptacoordinate MnIIions surrounded by six oxygen atoms from three bis-bidentate oxalate ions and one oxygen atom from a coordinated methanol molecule. In 1-3, the observed coordination environments of the MnIIions are close to capped trigonal prismatic (CTPR-7) according to continuous shape measurements (CSM). Curie-Weiss temperatures of 0.62, 0.42, and 0.54 K for 1-3, respectively, were deduced from the magnetic susceptibility measurements and reveal dominant ferromagnetic exchange interactions. Ab initio calculations up to the DDCI-2 level were performed on [MnCr] dimeric units and allowed the evaluation of the exchange interactions in 1-3.
Àrees temàtiques: Química Medicina i Materiais Interdisciplinar Inorganic chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas ii Ciências biológicas i Chemistry, inorganic & nuclear Astronomia / física
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: coen.degraaf@urv.cat
Identificador de l'autor: 0000-0001-8114-6658
Data d'alta del registre: 2024-09-07
Versió de l'article dipositat: info:eu-repo/semantics/submittedVersion
Enllaç font original: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/ejic.201600514
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: European Journal Of Inorganic Chemistry. 2016 (26): 4185-4193
Referència de l'ítem segons les normes APA: Maxim, Catalin; Saureu, Sergi; de Graaf, Coen; Ferlay, Sylvie; Hosseini, Mir Wais; Robert, Vincent; Train, Cyrille; (2016). Amidinium-Containing 2D [MnCr] Dimetallic Oxalate-Based Networks - The Influence on Structure and Magnetism Explored by Combining Experience and Theory. European Journal Of Inorganic Chemistry, 2016(26), 4185-4193. DOI: 10.1002/ejic.201600514
DOI de l'article: 10.1002/ejic.201600514
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2016
Tipus de publicació: Journal Publications