Lanthanides and Actinides in Molecular Magnetism

Richard Layfield is a Reader in Inorganic Chemistry at The University of Manchester, UK. He obtained his undergraduate degree in Chemistry at the University of Leeds, UK, and his PhD in Inorganic Chemistry at the University of Cambridge, UK. He has received several awards, including an Alexander von Humboldt Foundation Fellowship for Experienced Researchers, and the Royal Society of Chemistry Meldola Medal and the Sir Edward Frankland Fellowship. Muralee Murugesu is an Associate Professor at the University of Ottawa, Canada. He studied Chemistry at the University of Paris 7 Jussieu, France. Afterwards he obtained his MSc in Chemistry at the University of East Anglia, UK, and PhD in Chemistry at the University of Karlsruhe, Germany. His first postdoctoral appointment was at University of Florida with Prof. George Christou, followed by a postdoctoral position working jointly between the University of California, Berkeley and the University of California, San Francisco under the supervision of Prof. Jeffrey Long and the Nobel Laureate Prof. Stanley Prusiner.

Preface

ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF LANTHANIDE MOLECULAR COMPLEXES
Introduction
Free Ion Electronic Structure
Electronic Structure of Lanthanide Ions in a Ligand Field
Magnetic Properties of Isolated Lanthanide Ions
Exchange Coupling in Systems Containing Orbitally Degenerate Lanthanides

MONONUCLEAR LANTHANIDE COMPLEXES: USE OF THE CRYSTAL FIELD THEORY TO DESIGN SINGLE-ION MAGNETS AND SPIN QUBITS
Introduction
Modelling the Magnetic Properties of Lanthanide Single-Ion Magnets:TheUse of the Crystal FieldModel
Magneto-Structural Correlations for Some Typical Symmetries
Impact of Lanthanide Complexes in Quantum Computing
Conclusions

POLYNUCLEAR LANTHANIDE SINGLE MOLECULE MAGNETS
Introduction
Synthetic Strategies
Conclusion

LANTHANIDES IN EXTENDED MOLECULAR NETWORKS
Introduction
Extended Networks Based on Gd3+
Extended Networks Based on Anisotropic Ions
Conclusions

EXPERIMENTAL ASPECTS OF LANTHANIDE SINGLE-MOLECULE MAGNET PHYSICS
Introduction
Manifestation of Single-Molecule Magnet Behaviour
Quantifying the Magnetic Anisotropy
Splitting of the Ground Multiplet
Observation of the Signatures of Exchange Coupling
Concluding Remarks and Perspectives

COMPUTATIONAL MODELLING OF THE MAGNETIC PROPERTIES OF LANTHANIDE COMPOUNDS
Introduction
Ab Initio Description of Lanthanides and its Relation to Other Methods
Ab Initio Calculation of Anisotropic Magnetic Properties of Mononuclear Complexes
Ab Initio Calculation of Anisotropic Magnetic Properties of Polynuclear Complexes
Conclusions

LANTHANIDE COMPLEXES AS REALIZATION OF QUBITS AND QUGATES FOR QUANTUM COMPUTING
Introduction to Quantum Computation
Quantum Computing with Electron Spin Qubits
Single Lanthanide Ions as Spin Qubits
Lanthanide Molecules as Prototypes of Two-Qubit Quantum Gates
Conclusions and Outlook

BIS(PHTHALOCYANINATO) LANTHANIDE(III) COMPLEXES - FROM MOLECULAR MAGNETISM TO SPINTRONIC DEVICES
Introduction
Synthesis and Structure of LnPc2 Complexes
Bulk Magnetism of LnPc2 Complexes
Surface Magnetism of LnPc2 Complexes
Molecular Spintronic Devices on the Base of [TbPc2]0 SIMs
Conclusion and Outlook

LANTHANIDES AND THE MAGNETOCALORIC EFFECT
Applications of Magnets
Cold Reasoning
Current Technologies
How Paramagnets Act as Refrigerants
More Parameters
Aims
Important Concepts for a Large Magnetocaloric Effect
High-Performance MCE Materials
Outlook

ACTINIDE SINGLE-MOLECULE MAGNETS
Introduction
Literature Survey of Published Actinide Single-Molecule Magnets
Magnetic Coupling in Actinides
Conclusions

Index