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Octanuclear nickel phosphonate core forming extended and molecular structures

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F20%3A00117033" target="_blank" >RIV/00216224:14310/20:00117033 - isvavai.cz</a>

  • Result on the web

    <a href="https://doi.org/10.1039/D0CE01055C" target="_blank" >https://doi.org/10.1039/D0CE01055C</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/d0ce01055c" target="_blank" >10.1039/d0ce01055c</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Octanuclear nickel phosphonate core forming extended and molecular structures

  • Original language description

    Three new nickel phosphonate complexes {[Na2Ni8(L)(6)]center dot nSolv}(m) (L = SAA(3-) (1), BSAA(3-) (2), NAA(3-) (3); Solv = H2O, MeOH; m = 8 (1, 2), 1 (3)) were synthesized. All three complexes possess a novel octanuclear {Ni-8} phosphonate core, which consists of four dinuclear doubly oxygen-bridged units, further interconnected to each other by phosphonate oxygen bridges. The steric features of the ligands influence the aggregation degree. Molecules of 1 and 2 are interconnected by sodium cations into 2D layered and 1D chain extended structures, respectively, while the molecules of 3 with the bulkiest ligand are not bonded with each other. Magnetic properties of the obtained {Ni-8} core unit were studied for complex 1 as a representative of this family of compounds and are reported in detail. Magnetic susceptibility at low temperature is indicative of a singlet ground state. The absence of saturation and the magnetization behavior points to zero-field splitting (ZFS). Simulation of the magnetization data revealed an easy-plane magnetic anisotropy with an axial ZFS parameter D = 7.4 cm(-1). The magnetic properties of 1 were also studied by broken-symmetry DFT calculations (BS-DFT), which revealed the presence of ferromagnetic exchange interactions within the dinuclear units of the {Ni-8} core with a dominant antiferromagnetic interaction between these dinuclear entities. These results are in good agreement with coupling constants derived from the experimental susceptibility and magnetization data.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10400 - Chemical sciences

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2020

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    CrystEngComm

  • ISSN

    1466-8033

  • e-ISSN

  • Volume of the periodical

    22

  • Issue of the periodical within the volume

    41

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    11

  • Pages from-to

    6900-6910

  • UT code for WoS article

    000583363700016

  • EID of the result in the Scopus database

    2-s2.0-85094584441