Formation of Defect-Dicubane-Type NiII2LnIII2 (Ln = Tb, Er) Clusters: Crystal Structures and Modeling of the Magnetic Properties
In the field of molecular nanoclusters, cubane and defect-dicubane, or butterfly structures, are typical examples of tetranuclear metal core architectures. In this work, a halogenated and anionic Schiff-base ligand (L 2– ) is utilized as it is predisposed to chelate within a cluster core to both 3d...
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Published in | ACS omega Vol. 6; no. 1; pp. 483 - 491 |
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Main Authors | , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
American Chemical Society
21.12.2020
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Abstract | In
the field of molecular nanoclusters, cubane and defect-dicubane,
or butterfly structures, are typical examples of tetranuclear metal
core architectures. In this work, a halogenated and anionic Schiff-base
ligand (L
2–
) is utilized as it is predisposed to
chelate within a cluster core to both 3d and 4f metal ions, in different
binding configurations (H
2
L = 4-chloro-2-(2-hydroxy-3-methoxybenzyliden
amino)phenol). The phenolate oxygen atoms of the deprotonated ligand
can act in μ-O and μ
3
-O bridging binding modes
for the intramolecular assembly of metal ions. Based on that, two
tetranuclear and isostructural compounds [Ni
2
Tb
2
(L)
4
(NO
3
)
2
(DMF)
2
]·2CH
3
CN (
1
) and [Ni
2
Er
2
(L)
4
(NO
3
)
2
(DMF)
2
]·0.5CH
3
CN (
2
) were synthesized and structurally characterized.
Magnetic susceptibility and magnetization data indicate the occurrence
of dominant intramolecular ferromagnetic interactions between the
spin centers. Particular emphasis is given to the theoretical description
of the magnetic behavior, taking into account the Ln–Ni and
Ni–Ni coupling paths and the magnetic anisotropy of the Ln
III
and Ni
II
ions. The study is distinguished for
its discussion of two distinct models, whereby model
A
relies on the uniaxial
B
20
Stevens term
describing the lanthanide anisotropy and model
B
is based
on point-charge model calculations. Importantly, the physical meaning
of the obtained parameters for both models was critically scrutinized. |
---|---|
AbstractList | In
the field of molecular nanoclusters, cubane and defect-dicubane,
or butterfly structures, are typical examples of tetranuclear metal
core architectures. In this work, a halogenated and anionic Schiff-base
ligand (L
2–
) is utilized as it is predisposed to
chelate within a cluster core to both 3d and 4f metal ions, in different
binding configurations (H
2
L = 4-chloro-2-(2-hydroxy-3-methoxybenzyliden
amino)phenol). The phenolate oxygen atoms of the deprotonated ligand
can act in μ-O and μ
3
-O bridging binding modes
for the intramolecular assembly of metal ions. Based on that, two
tetranuclear and isostructural compounds [Ni
2
Tb
2
(L)
4
(NO
3
)
2
(DMF)
2
]·2CH
3
CN (
1
) and [Ni
2
Er
2
(L)
4
(NO
3
)
2
(DMF)
2
]·0.5CH
3
CN (
2
) were synthesized and structurally characterized.
Magnetic susceptibility and magnetization data indicate the occurrence
of dominant intramolecular ferromagnetic interactions between the
spin centers. Particular emphasis is given to the theoretical description
of the magnetic behavior, taking into account the Ln–Ni and
Ni–Ni coupling paths and the magnetic anisotropy of the Ln
III
and Ni
II
ions. The study is distinguished for
its discussion of two distinct models, whereby model
A
relies on the uniaxial
B
20
Stevens term
describing the lanthanide anisotropy and model
B
is based
on point-charge model calculations. Importantly, the physical meaning
of the obtained parameters for both models was critically scrutinized. |
Author | Luo, Yingying Waldmann, Oliver Liu, Shi-Xia Prsa, Krunoslav Herringer, Susan N. Krämer, Karl W. You, Zhonglu Mutschler, Julius Wang, Jiaqi Zheng, Boyang Decurtins, Silvio |
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the field of molecular nanoclusters, cubane and defect-dicubane,
or butterfly structures, are typical examples of tetranuclear metal
core architectures. In... |
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Title | Formation of Defect-Dicubane-Type NiII2LnIII2 (Ln = Tb, Er) Clusters: Crystal Structures and Modeling of the Magnetic Properties |
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