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Amidinium-Containing 2D [MnCr] Dimetallic Oxalate-Based Networks - The Influence on Structure and Magnetism Explored by Combining Experience and Theory

  • Identification data

    Identifier: imarina:5131635
    Authors:
    Maxim, CatalinSaureu, Sergide Graaf, CoenFerlay, SylvieHosseini, Mir WaisRobert, VincentTrain, Cyrille
    Abstract:
    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.
  • Others:

    Author, as appears in the article.: Maxim, Catalin; Saureu, Sergi; de Graaf, Coen; Ferlay, Sylvie; Hosseini, Mir Wais; Robert, Vincent; Train, Cyrille;
    Department: Química Física i Inorgànica
    URV's Author/s: De Graaf, Cornelis
    Keywords: 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
    Abstract: 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.
    Thematic Areas: Química Medicina i Materiais Interdisciplinar Inorganic chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas ii Ciências biológicas i Chemistry, inorganic & nuclear Astronomia / física
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Author's mail: coen.degraaf@urv.cat
    Author identifier: 0000-0001-8114-6658
    Record's date: 2024-09-07
    Papper version: info:eu-repo/semantics/submittedVersion
    Link to the original source: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/ejic.201600514
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: European Journal Of Inorganic Chemistry. 2016 (26): 4185-4193
    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
    Article's DOI: 10.1002/ejic.201600514
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2016
    Publication Type: Journal Publications
  • Keywords:

    Chemistry, Inorganic & Nuclear,Inorganic Chemistry
    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
    Química
    Medicina i
    Materiais
    Interdisciplinar
    Inorganic chemistry
    Farmacia
    Engenharias iii
    Engenharias ii
    Ciências biológicas ii
    Ciências biológicas i
    Chemistry, inorganic & nuclear
    Astronomia / física
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