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Field-induced single-ion magnets exhibiting tri-axial anisotropy in a 1D Co() coordination polymer with a rigid ligand 4,4′-(buta-1,3-diyne-1,4-diyl)dibenzoate

Matos, Catiúcia R. M. O ; Sarmiento, Charlie V ; Silva, Henrique ; Ferreira, Glaucio B ; Guedes, Guilherme P ; Nunes, Wallace C ; Ronconi, Célia M

Dalton transactions : an international journal of inorganic chemistry, 2021-11, Vol.5 (42), p.153-1514 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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  • Título:
    Field-induced single-ion magnets exhibiting tri-axial anisotropy in a 1D Co() coordination polymer with a rigid ligand 4,4′-(buta-1,3-diyne-1,4-diyl)dibenzoate
  • Autor: Matos, Catiúcia R. M. O ; Sarmiento, Charlie V ; Silva, Henrique ; Ferreira, Glaucio B ; Guedes, Guilherme P ; Nunes, Wallace C ; Ronconi, Célia M
  • Assuntos: Alternating current ; Anisotropy ; Coordination polymers ; Crystals ; Direct current ; Electronic structure ; Magnetic induction ; Magnetic measurement ; Magnetic permeability ; Magnetic relaxation ; Magnetism ; Magnets ; Mathematical analysis ; Quantum chemistry ; Self consistent fields ; Single crystals
  • É parte de: Dalton transactions : an international journal of inorganic chemistry, 2021-11, Vol.5 (42), p.153-1514
  • Notas: 2077373
    2077372
    10.1039/d1dt01961a
    For the ESI and crystallographic data in CIF or other electronic format see DOI
    and
    Electronic supplementary information (ESI) available: Full details of characterisation, crystallographic information, theoretical calculations and magnetic data. CCDC
    ObjectType-Article-1
    SourceType-Scholarly Journals-1
    ObjectType-Feature-2
    content type line 23
  • Descrição: Herein a 1D Co( ii ) coordination polymer of formula [Co(η 1 - L1 )(η 2 - L1 )(py) 2 (H 2 O)] n ( CoCP ) has been synthesised using the rigid H 2 L1 proligand, containing a long spacer bearing two triple bonds. Single-crystal X-ray diffraction showed that Co( ii ) adopts a distorted octahedral geometry. The state-averaged complete active self-consistent field (SA-CASSCF) calculation showed that the ground state of CoCP is a high spin quartet with a highly multiconfigurational character of its electronic structure. Due to the large intra- and intermolecular distances between the spin carriers, the magnetic interactions are negligible and the zero-field splitting (ZFS) effects of cobalt( ii ) ions are predominant. This behavior was confirmed by direct current (DC) magnetic measurements and theoretical calculations using the broken-symmetry approach. Quantum chemical calculations indicate that CoCP has a negative axial component possessing mixed tri-axial anisotropy. The DC magnetic susceptibility data were fitted with a Griffith-Figgis Hamiltonian and the obtained parameters are in good agreement with those simulated by the ab initio calculation. Alternating current (AC) magnetic measurements showed a field induced slow magnetic relaxation in CoCP , which is attributed to the hyperfine interaction effects. A tri-axial Co( ii ) coordination polymer displaying one of the largest axial anisotropy components exhibits field-induced single-ion magnet (SIM) behavior.
  • Editor: Cambridge: Royal Society of Chemistry
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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