Synthesis of heptanuclear Ni4Dy3 coordination aggregate using tridentate ligand: X-ray structure, magnetism and theoretical studies

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F21%3A73609432" target="_blank" >RIV/61989592:15310/21:73609432 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0020169321002802" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0020169321002802</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ica.2021.120524" target="_blank" >10.1016/j.ica.2021.120524</a>

Result language
angličtina
Original language name
Synthesis of heptanuclear Ni4Dy3 coordination aggregate using tridentate ligand: X-ray structure, magnetism and theoretical studies
Original language description
The Schiff base ligand, 2-(((2-hydroxybenzyl)imino)methyl)phenol (H2L) having ONO donor centres are utilized to synthesize {Ni4Dy3} coordination aggregate following the support of six benzoate bridging groups. Sequential addition of Dy(NO3)3.6H(2)O and NiCl2.6H2O to H2L followed by PhCO2Na completes the coordination driven aggregation of heptanuclear Na[Ni4Dy3(L)4(mu(3)-OH)(4)(mu 1,1,3,3-PhCO2)(2)(mu 1,3-PhCO2)(4)(CH3OH)(4)]center dot CH2Cl2.9H(2)O (1) having 2,3,6M7 - 1 topology. Two adjacent perpendicular inverse Ni2Dy2 partial di-cubane units sharing a common vertex through the central DyIII ion resulted a new structural arrangement within the Ni - Dy family of coordination aggregates. The complex shows no slow magnetic relaxation under zero applied fields and only shows a very weak field dependent magnetization. The DFT calculations revealed weak ferromagnetic exchange between benzoato-bridged NiII ions, whereas the CASSCF calculations were used to identify magnetic anisotropy in NiII and DyIII ions resulting in low-lying excited states of DyIII ions with significant probability for the quantum tunneling of the magnetization, which rationalize the observed fast dynamics in the magnetic properties.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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