Abstract
The study of magnetic anisotropy in metal complexes is at the forefront of current molecular magnetism research because it represents the key property for potential application of molecular materials in spintronics, memory storage, and quantum computing. The anisotropy adds an order of complexity to magnetic properties of complexes, requiring more refined experimental techniques and the use of theoretical tools, especially, of new ab initio approaches for their description. In this review, we discuss the physical reasons for magnetic anisotropy and the mechanisms of its appearance in different metal complexes. Differences in the manifestation of magnetic anisotropy between complexes with weak and strong spin–orbit coupling as well as between single-ion and polynuclear compounds will be emphasized.
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Abbreviations
- ac:
-
Alternative current
- Ac:
-
Acetyl
- BS-DFT:
-
Broken-symmetry DFT
- CASPT2:
-
Complete active space second-order perturbation theory
- CASSCF:
-
Complete active space self-consistent field
- COT:
-
Cyclooctatetraene
- CPT:
-
Capped trigonal prisms
- Cr2Dy
2: -
[CrIII 2DyIII 2(OMe)2(O2CPh)4(mdea)2(NO3)2]
- DFT:
-
Density functional theory
- Dy2 :
-
[Dy2(ovph)2Cl2(MeOH)3]
- Fe8 :
-
[Fe8O2(OH)12(tacn)6]8+
- H2ovph:
-
Pyridine-2-carboxylic acid [(2-hydroxy-3-methoxyphenyl)methylene] hydrazide
- ITO:
-
Irreducible tensor operator
- KD:
-
Kramers doublet
- L:
-
N,N′,N″-Tris(2-hydroxy-3-methoxybenzylidene)-2-(aminomethyl)-2-methyl-1,3-propanediamine
- Ln:
-
Lanthanide
- mdeaH2 :
-
N-Methyldiethanolamine
- Me:
-
Methyl
- Mn12ac:
-
[Mn12O12(CH3COO)16(H2O)4]
- Pc:
-
Phthalocyanine
- Ph:
-
Phenyl
- QTM:
-
Quantum tunneling of magnetization
- R:
-
Radical
- RASSI-SO:
-
Restricted active space state interaction for spin–orbit coupling
- SCM:
-
Single-chain magnet
- SIM:
-
Single-ion magnet
- SMM:
-
Single-molecule magnet
- tacn:
-
1,4,7-Triazacyclononane
- TM:
-
Transition metal
- ZFS:
-
Zero-field splitting
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Acknowledgments
I would like to thank Dr. Liviu Ungur for the long-term collaboration on the theoretical description of magnetic anisotropy in molecular nanomagnets and Veaceslav Vieru for technical assistance. This work was supported by Methusalem and INPAC grants at KU Leuven and by FWO grants of Flemish Science Foundation.
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Chibotaru, L.F. (2014). Theoretical Understanding of Anisotropy in Molecular Nanomagnets. In: Gao, S. (eds) Molecular Nanomagnets and Related Phenomena. Structure and Bonding, vol 164. Springer, Berlin, Heidelberg. https://doi.org/10.1007/430_2014_171
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DOI: https://doi.org/10.1007/430_2014_171
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