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Pentacoordinate cobalt(II) single ion magnets with pendant alkyl chains: shall we go for chloride or bromide?

Identifikátory výsledku

  • Kód výsledku v IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F22%3A73615224" target="_blank" >RIV/61989592:15310/22:73615224 - isvavai.cz</a>

  • Výsledek na webu

    <a href="https://pubs.rsc.org/en/content/articlepdf/2022/qi/d1qi01350e" target="_blank" >https://pubs.rsc.org/en/content/articlepdf/2022/qi/d1qi01350e</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1039/d1qi01350e" target="_blank" >10.1039/d1qi01350e</a>

Alternativní jazyky

  • Jazyk výsledku

    angličtina

  • Název v původním jazyce

    Pentacoordinate cobalt(II) single ion magnets with pendant alkyl chains: shall we go for chloride or bromide?

  • Popis výsledku v původním jazyce

    Four pentacoordinate complexes, 1-4, of the type (Co(L1)X-2] and [Co(L2)X-2] (where L1 = 2,6-bis(1-octyl-1H-benzimidazol-2-yl)pyridine for 1 and 2, L2 = 2,6-bis(1-dodecyl-1H-benzimidazol-2-yl)-pyridine for 3 and 4; X = Cl- for 1 and 3, X = Br- for 2 and 4) have been synthesized, and their structures have been determined by X-ray analysis. The DC magnetic investigation confirmed the high-spin and anisotropic behavior of the metal centers of the reported compounds, and magnetic data were analyzed with respect to the spin Hamiltonian and the Griffith-Figgis Hamiltonian. CASSCF-NEVPT2 analysis enabled us to identify triaxial magnetic anisotropy for 1 and 2 and axial anisotropy for 3 and 4, and we discuss thoroughly the relationship between geometry and orbital ordering. The g-tensor components of the ground Kramers doublet extracted from EPR spectroscopy are compatible with this prediction of magnetic anisotropy. Simulated FIRMS experimental data of 2, 3 and 4 show very good agreement with theoretical calculations and provide precise values of zero-field splitting. The AC susceptibility measurements confirmed that the reported complexes were field-induced single-ion magnets. The slow relaxation of magnetization in 1 and 2 is mediated through two relaxation channels that are unusually close to each other. On the other hand, complexes 3 and 4 show the single-channel relaxation of magnetization, and their isostructural characteristic allowed us to study the relaxation changes caused solely by the replacement of terminal halido ligands. Finally, a wet lithographic technique has been used to evaluate both the processability of the complexes in solution and the preparation of microstructured films.

  • Název v anglickém jazyce

    Pentacoordinate cobalt(II) single ion magnets with pendant alkyl chains: shall we go for chloride or bromide?

  • Popis výsledku anglicky

    Four pentacoordinate complexes, 1-4, of the type (Co(L1)X-2] and [Co(L2)X-2] (where L1 = 2,6-bis(1-octyl-1H-benzimidazol-2-yl)pyridine for 1 and 2, L2 = 2,6-bis(1-dodecyl-1H-benzimidazol-2-yl)-pyridine for 3 and 4; X = Cl- for 1 and 3, X = Br- for 2 and 4) have been synthesized, and their structures have been determined by X-ray analysis. The DC magnetic investigation confirmed the high-spin and anisotropic behavior of the metal centers of the reported compounds, and magnetic data were analyzed with respect to the spin Hamiltonian and the Griffith-Figgis Hamiltonian. CASSCF-NEVPT2 analysis enabled us to identify triaxial magnetic anisotropy for 1 and 2 and axial anisotropy for 3 and 4, and we discuss thoroughly the relationship between geometry and orbital ordering. The g-tensor components of the ground Kramers doublet extracted from EPR spectroscopy are compatible with this prediction of magnetic anisotropy. Simulated FIRMS experimental data of 2, 3 and 4 show very good agreement with theoretical calculations and provide precise values of zero-field splitting. The AC susceptibility measurements confirmed that the reported complexes were field-induced single-ion magnets. The slow relaxation of magnetization in 1 and 2 is mediated through two relaxation channels that are unusually close to each other. On the other hand, complexes 3 and 4 show the single-channel relaxation of magnetization, and their isostructural characteristic allowed us to study the relaxation changes caused solely by the replacement of terminal halido ligands. Finally, a wet lithographic technique has been used to evaluate both the processability of the complexes in solution and the preparation of microstructured films.

Klasifikace

  • Druh

    J<sub>imp</sub> - Článek v periodiku v databázi Web of Science

  • CEP obor

  • OECD FORD obor

    10402 - Inorganic and nuclear chemistry

Návaznosti výsledku

  • Projekt

  • Návaznosti

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Ostatní

  • Rok uplatnění

    2022

  • Kód důvěrnosti údajů

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

Údaje specifické pro druh výsledku

  • Název periodika

    Inorganic Chemistry Frontiers

  • ISSN

    2052-1545

  • e-ISSN

    2052-1553

  • Svazek periodika

    9

  • Číslo periodika v rámci svazku

    6

  • Stát vydavatele periodika

    GB - Spojené království Velké Británie a Severního Irska

  • Počet stran výsledku

    16

  • Strana od-do

    1179-1194

  • Kód UT WoS článku

    000751923900001

  • EID výsledku v databázi Scopus

    2-s2.0-85127680981