Two Types of Hexanuclear Partial Tetracubane [Ni(4)Ln(2)] (Ln = Dy, Tb, Ho) Complexes of Thioether-Based Schiff Base Ligands: Synthesis, Structure, and Comparison of Magnetic Properties
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F19%3A73596429" target="_blank" >RIV/61989592:15310/19:73596429 - isvavai.cz</a>
Result on the web
<a href="https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.9b01517" target="_blank" >https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.9b01517</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.inorgchem.9b01517" target="_blank" >10.1021/acs.inorgchem.9b01517</a>
Alternative languages
Result language
angličtina
Original language name
Two Types of Hexanuclear Partial Tetracubane [Ni(4)Ln(2)] (Ln = Dy, Tb, Ho) Complexes of Thioether-Based Schiff Base Ligands: Synthesis, Structure, and Comparison of Magnetic Properties
Original language description
New Schiff base ligand H2L containing N2O4S donor atoms has been explored for its ability to provide complexes of selected 3d and 4f metal ions. Room temperature reaction of H2L with NiCl2 center dot 6H(2)O and Ln(NO3)(3)center dot 5H(2)O in the presence of Et3N in MeCN-MeOH (2:1) medium resulted in [Ni(4)Ln(2)(L)(2)(mu-Cl)(2)(mu(3)-OH)(4)(H2O)(6)]Cl-4 center dot 2H(2)O (where Ln = Dy3+ (1), Tb3+ (2), and Ho3+ (3) and H2L = 2-(2-(2-(2-hydroxy-3-methoxybenzylideneamino)ethylthio)ethylimino)methyl)-6-methoxyphenol). Use of Ni(SCN)(2)center dot 4H(2)O during synthesis provided SCN- ions for bridging and terminal coordination in [Ni(4)Ln(2)(L)(2)(mu-NCS)(2)(mu(3)-OH)(4) (NCS)(4) (H2O)(2)]center dot XMeOH center dot yH(2)O (where Ln = Dy3+ (4), x = 2, y = 4; Tb3+ (5) and Ho3+ (6), x = 0, y = 14.1). All six complexes possess a hexanuclear defective tetracubane topology having exchangeable bridging groups. The study of direct current magnetic susceptibility measurements revealed that the Ni(II) ions are engaged in ferromagnetic interaction with the Dy-III, Tb-III and Ho-III ions and have significant magnetic anisotropy in all six complexes. Alternating current susceptibility measurements confirmed that both of the two types of compounds qualify as zero-field single molecule magnets (SMMs), and the effective barrier for the reversal of the magnetic moment was found to be in the range U-eff = 23-31 K for 1-2 and 4-5, respectively. Detailed insight into the electronic structure and magnetic properties was calculated using DFT- and CASSCF-based analyses. The found isotropic exchange parameter (I) values are J(Ni-Ni) = -4.7 cm(-1) for 1 and J(Ni-Ni) = +29.2 cm(-1) for 4 and clearly indicate that the mu-NCS-bridge is a better candidate than mu-Cl for ferromagnetic exchange interactions. Out of the six complexes, only complex 5 displays Tb-III centered emission peaks at 451 and 480 nm.
Czech name
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Czech description
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Classification
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
Result continuities
Project
<a href="/en/project/LO1305" target="_blank" >LO1305: Development of the center of advanced technologies and materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
INORGANIC CHEMISTRY
ISSN
0020-1669
e-ISSN
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Volume of the periodical
58
Issue of the periodical within the volume
18
Country of publishing house
US - UNITED STATES
Number of pages
15
Pages from-to
12184-12198
UT code for WoS article
000486565600037
EID of the result in the Scopus database
2-s2.0-85072234317