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Introduction to molecular magnetism : from transition metals to lanthanides / / Cristiano Benelli and Dante Gatteschi
Introduction to molecular magnetism : from transition metals to lanthanides / / Cristiano Benelli and Dante Gatteschi
Autore Benelli Cristiano
Pubbl/distr/stampa Weinheim, Germany : , : Wiley-VCH, , 2015
Descrizione fisica 1 online resource (465 p.)
Disciplina 541.378
Soggetto topico Magnetochemistry
Molecular crystals - Magnetic properties
Rare earth metals
ISBN 3-527-69055-7
3-527-69054-9
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Cover; Title Page; Copyright; Contents; Preface; Chapter 1 Introduction; 1.1 A Nano History of Molecular Magnetism; 1.2 Molecules, Conductors, and Magnets; 1.3 Origin of Molecular Magnetism; 1.4 Playing with the Periodic Table; 1.5 p Magnetic Orbitals; 1.6 d Magnetic Orbitals; 1.7 f Magnetic Orbitals; 1.8 The Goals of Molecular Magnetism; 1.9 Why a Book; 1.10 Outlook; 1.11 The Applications of Ln; 1.12 Finally SI versus emu; References; Chapter 2 Electronic Structures of Free Ions; 2.1 The Naked Ions; 2.2 Spin-Orbit Coupling; 2.3 Applying a Magnetic Field; References
Chapter 3 Electronic Structure of Coordinated Ions3.1 Dressing Ions; 3.2 The Crystal Field; 3.3 The aquo Ions; 3.4 The Angular Overlap Model; 3.5 The Lantanum(III) with Phthalocyanine (Pc) and PolyOxoMetalates (POM); 3.6 Introducing Magnetic Anisotropy; References; Chapter 4 Coordination Chemistry and Molecular Magnetism; 4.1 Introduction; 4.2 Pyrazolylborates; 4.3 Phthalocyanines; 4.4 Cyclopentadiene and Cyclooctatetraene; 4.5 Polyoxometalates (POMs); 4.6 Diketonates; 4.7 Nitronyl-nitroxides (NITs); 4.8 Carboxylates; 4.9 Schiff Bases; References; Chapter 5 Magnetism of Ions
5.1 The Curie Law5.2 The Van Vleck Equation; 5.3 Anisotropy Steps in; References; Chapter 6 Molecular Orbital of Isolated Magnetic Centers; 6.1 Moving to MO; 6.2 Correlation Effects; 6.3 DFT; 6.4 The Complexity of Simple; 6.5 DFT and Single Ions; 6.6 DOTA Complexes, Not Only Contrast; References; Chapter 7 Toward the Molecular Ferromagnet; 7.1 Introduction; 7.2 A Road to Infinite; 7.3 Magnetic Interactions; 7.4 Introducing Interactions: Dipolar; 7.5 Spin Hamiltonians; 7.6 The Giant Spin; 7.7 Single Building Block; 7.8 Multicenter Interactions; 7.9 Noncollinearity
7.10 Introducing Orbital DegeneracyReferences; Chapter 8 Molecular Orbital of Coupled Systems; 8.1 Exchange and Superexchange; 8.2 Structure and Magnetic Correlations: d Orbitals; 8.3 Quantum Chemical Calculations of SH Parameters; 8.4 Copper Acetate!; 8.5 Mixed Pairs: Degenerate-Nondegenerate; 8.6 f Orbitals and Orbital Degeneracy; References; Chapter 9 Structure and Properties of p Magnetic Orbitals Systems; 9.1 Magnetic Coupling in Organics; 9.2 Magnetism in Nitroxides; 9.3 Thioradicals; 9.4 Metallorganic Magnets; 9.5 Semiquinone Radicals; 9.6 NITR Radicals with Metals
9.7 Long Distance Interactions in NitroxidesReferences; Chapter 10 Structure and Properties of Coupled Systems: d, f; 10.1 d Orbitals; 10.2 3d; 10.3 4d and 5d; 10.4 Introducing Chirality; 10.5 f-d Interactions; 10.6 A Model DFT Calculation; 10.7 Magneto-Structural Correlations in Gd-Cu; 10.8 f Orbital Systems and Orbital Degeneracy; References; Chapter 11 Dynamic Properties; 11.1 Introductory Remarks; 11.2 Spin-Lattice Relaxation and T1; 11.3 Phonons and Direct Mechanism; 11.4 Two Is Better than One; 11.5 Playing with Fields; 11.6 Something Real; 11.7 Spin-Spin Relaxation and T2; References
Chapter 12 SMM Past and Present
Record Nr. UNINA-9910140462803321
Benelli Cristiano  
Weinheim, Germany : , : Wiley-VCH, , 2015
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Introduction to molecular magnetism : from transition metals to lanthanides / / Cristiano Benelli and Dante Gatteschi
Introduction to molecular magnetism : from transition metals to lanthanides / / Cristiano Benelli and Dante Gatteschi
Autore Benelli Cristiano
Pubbl/distr/stampa Weinheim, Germany : , : Wiley-VCH, , 2015
Descrizione fisica 1 online resource (465 p.)
Disciplina 541.378
Soggetto topico Magnetochemistry
Molecular crystals - Magnetic properties
Rare earth metals
ISBN 3-527-69055-7
3-527-69054-9
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Cover; Title Page; Copyright; Contents; Preface; Chapter 1 Introduction; 1.1 A Nano History of Molecular Magnetism; 1.2 Molecules, Conductors, and Magnets; 1.3 Origin of Molecular Magnetism; 1.4 Playing with the Periodic Table; 1.5 p Magnetic Orbitals; 1.6 d Magnetic Orbitals; 1.7 f Magnetic Orbitals; 1.8 The Goals of Molecular Magnetism; 1.9 Why a Book; 1.10 Outlook; 1.11 The Applications of Ln; 1.12 Finally SI versus emu; References; Chapter 2 Electronic Structures of Free Ions; 2.1 The Naked Ions; 2.2 Spin-Orbit Coupling; 2.3 Applying a Magnetic Field; References
Chapter 3 Electronic Structure of Coordinated Ions3.1 Dressing Ions; 3.2 The Crystal Field; 3.3 The aquo Ions; 3.4 The Angular Overlap Model; 3.5 The Lantanum(III) with Phthalocyanine (Pc) and PolyOxoMetalates (POM); 3.6 Introducing Magnetic Anisotropy; References; Chapter 4 Coordination Chemistry and Molecular Magnetism; 4.1 Introduction; 4.2 Pyrazolylborates; 4.3 Phthalocyanines; 4.4 Cyclopentadiene and Cyclooctatetraene; 4.5 Polyoxometalates (POMs); 4.6 Diketonates; 4.7 Nitronyl-nitroxides (NITs); 4.8 Carboxylates; 4.9 Schiff Bases; References; Chapter 5 Magnetism of Ions
5.1 The Curie Law5.2 The Van Vleck Equation; 5.3 Anisotropy Steps in; References; Chapter 6 Molecular Orbital of Isolated Magnetic Centers; 6.1 Moving to MO; 6.2 Correlation Effects; 6.3 DFT; 6.4 The Complexity of Simple; 6.5 DFT and Single Ions; 6.6 DOTA Complexes, Not Only Contrast; References; Chapter 7 Toward the Molecular Ferromagnet; 7.1 Introduction; 7.2 A Road to Infinite; 7.3 Magnetic Interactions; 7.4 Introducing Interactions: Dipolar; 7.5 Spin Hamiltonians; 7.6 The Giant Spin; 7.7 Single Building Block; 7.8 Multicenter Interactions; 7.9 Noncollinearity
7.10 Introducing Orbital DegeneracyReferences; Chapter 8 Molecular Orbital of Coupled Systems; 8.1 Exchange and Superexchange; 8.2 Structure and Magnetic Correlations: d Orbitals; 8.3 Quantum Chemical Calculations of SH Parameters; 8.4 Copper Acetate!; 8.5 Mixed Pairs: Degenerate-Nondegenerate; 8.6 f Orbitals and Orbital Degeneracy; References; Chapter 9 Structure and Properties of p Magnetic Orbitals Systems; 9.1 Magnetic Coupling in Organics; 9.2 Magnetism in Nitroxides; 9.3 Thioradicals; 9.4 Metallorganic Magnets; 9.5 Semiquinone Radicals; 9.6 NITR Radicals with Metals
9.7 Long Distance Interactions in NitroxidesReferences; Chapter 10 Structure and Properties of Coupled Systems: d, f; 10.1 d Orbitals; 10.2 3d; 10.3 4d and 5d; 10.4 Introducing Chirality; 10.5 f-d Interactions; 10.6 A Model DFT Calculation; 10.7 Magneto-Structural Correlations in Gd-Cu; 10.8 f Orbital Systems and Orbital Degeneracy; References; Chapter 11 Dynamic Properties; 11.1 Introductory Remarks; 11.2 Spin-Lattice Relaxation and T1; 11.3 Phonons and Direct Mechanism; 11.4 Two Is Better than One; 11.5 Playing with Fields; 11.6 Something Real; 11.7 Spin-Spin Relaxation and T2; References
Chapter 12 SMM Past and Present
Record Nr. UNINA-9910827804803321
Benelli Cristiano  
Weinheim, Germany : , : Wiley-VCH, , 2015
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Magnetic and Mössbauer studies of FeIII-LnIII coordination clusters constructed from polyethylene glycol ligands / / Guo Peng
Magnetic and Mössbauer studies of FeIII-LnIII coordination clusters constructed from polyethylene glycol ligands / / Guo Peng
Autore Peng Guo
Edizione [1.Auflage.]
Pubbl/distr/stampa Göttingen, [Germany] : , : Cuvillier Verlag, , 2013
Descrizione fisica 1 online resource (185 pages) : illustrations
Disciplina 541.378
Soggetto topico Magnetochemistry
Magnetism
Soggetto genere / forma Electronic books.
ISBN 3-7369-4565-5
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910511482803321
Peng Guo  
Göttingen, [Germany] : , : Cuvillier Verlag, , 2013
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Magnetic and Mössbauer studies of FeIII-LnIII coordination clusters constructed from polyethylene glycol ligands / / Guo Peng
Magnetic and Mössbauer studies of FeIII-LnIII coordination clusters constructed from polyethylene glycol ligands / / Guo Peng
Autore Peng Guo
Edizione [1.Auflage.]
Pubbl/distr/stampa Göttingen, [Germany] : , : Cuvillier Verlag, , 2013
Descrizione fisica 1 online resource (185 pages) : illustrations
Disciplina 541.378
Soggetto topico Magnetochemistry
Magnetism
ISBN 3-7369-4565-5
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910794973803321
Peng Guo  
Göttingen, [Germany] : , : Cuvillier Verlag, , 2013
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Magnetic and Mössbauer studies of FeIII-LnIII coordination clusters constructed from polyethylene glycol ligands / / Guo Peng
Magnetic and Mössbauer studies of FeIII-LnIII coordination clusters constructed from polyethylene glycol ligands / / Guo Peng
Autore Peng Guo
Edizione [1.Auflage.]
Pubbl/distr/stampa Göttingen, [Germany] : , : Cuvillier Verlag, , 2013
Descrizione fisica 1 online resource (185 pages) : illustrations
Disciplina 541.378
Soggetto topico Magnetochemistry
Magnetism
ISBN 3-7369-4565-5
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910824100203321
Peng Guo  
Göttingen, [Germany] : , : Cuvillier Verlag, , 2013
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Magnetic Interactions in Molecules and Solids / / by Coen de Graaf, Ria Broer
Magnetic Interactions in Molecules and Solids / / by Coen de Graaf, Ria Broer
Autore de Graaf Coen
Edizione [1st ed. 2016.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016
Descrizione fisica 1 online resource (XVI, 246 p. 75 illus., 32 illus. in color.)
Disciplina 541.378
Collana Theoretical Chemistry and Computational Modelling
Soggetto topico Chemistry, Physical and theoretical
Inorganic chemistry
Structural materials
Theoretical and Computational Chemistry
Inorganic Chemistry
Structural Materials
ISBN 3-319-22951-6
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto 1. Basic Concepts -- 2. One Magnetic Center -- 3. Two (or more) Magnetic Centers -- 4. From Orbital Models to Accurate Predictions -- 5. Towards a Quantitative Understanding -- 6. Magnetism and Conduction.
Record Nr. UNINA-9910254052603321
de Graaf Coen  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Molecular cluster magnets [[electronic resource] /] / editor, Richard Winpenny
Molecular cluster magnets [[electronic resource] /] / editor, Richard Winpenny
Pubbl/distr/stampa Singapore ; ; Hackensack, N.J., : World Scientific Pub., c2012
Descrizione fisica 1 online resource (312 p.)
Disciplina 541.378
Altri autori (Persone) WinpennyRichard
Collana World Scientific series in nanoscience and nanotechnology
Soggetto topico Nanostructured materials - Magnetic properties
Magnetochemistry
Soggetto genere / forma Electronic books.
ISBN 981-4322-95-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto 3 Further SMMs Based on Mn(III)3.1 The largest SMM; a [Mn84] torus; 3.2 Record spin number, ST = 83/2, but no slow relaxation; 3.3 Record magnetic anisotropy barrier; a Mn6 cluster; 3.4 Quantum entanglement between SMMs; first discovered in a pair of Mn4 clusters; 3.5 [MnIII 3 MnIV] clusters with an S = 9/2 ground state; 3.6 The [MnIII 2 MnII 2 ] family of "rhombic" SMMs; 3.7 Oxime bridged SMMs with the core [MnIII 3 O] and ST = 6; 3.8 Magnetostructural correlations within a family of [MnIII 6 ] SMMs; 4 MMs Based on Fe(III) Ions; 5 New SMMs Based on Divalent 3d-Ions
6 Slow Relaxation in Complexes Involving 4f-Elements6.1 Single atom magnets; 6.2 Polymetallic 4f-complexes; 6.3 Heterometallic 3d-4f SMMs; 7 Metallocyanate Based SMMs; 8 Conclusions; References; 3. The Nanoscopic V15 Cluster: A Unique Magnetic Polyoxometalate Boris Tsukerblat and Alex Tarantul; 1 The Unique Magnetic Polyoxometalate V15; 2 Structure and Superexchange Pathways; 3 Exchange Interactions within the Triangle Model; 3.1 Isotropic exchange within the triangle model; 3.2 'Accidental' degeneracy and spin-frustration; 3.3 Pseudo-angular momentum representation
3.4 Antisymmetric exchange, zero-field splitting
Record Nr. UNINA-9910457267503321
Singapore ; ; Hackensack, N.J., : World Scientific Pub., c2012
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Molecular cluster magnets [[electronic resource] /] / editor, Richard Winpenny
Molecular cluster magnets [[electronic resource] /] / editor, Richard Winpenny
Pubbl/distr/stampa Singapore ; ; Hackensack, N.J., : World Scientific Pub., c2012
Descrizione fisica 1 online resource (312 p.)
Disciplina 541.378
Altri autori (Persone) WinpennyRichard
Collana World Scientific series in nanoscience and nanotechnology
Soggetto topico Nanostructured materials - Magnetic properties
Magnetochemistry
ISBN 981-4322-95-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto 3 Further SMMs Based on Mn(III)3.1 The largest SMM; a [Mn84] torus; 3.2 Record spin number, ST = 83/2, but no slow relaxation; 3.3 Record magnetic anisotropy barrier; a Mn6 cluster; 3.4 Quantum entanglement between SMMs; first discovered in a pair of Mn4 clusters; 3.5 [MnIII 3 MnIV] clusters with an S = 9/2 ground state; 3.6 The [MnIII 2 MnII 2 ] family of "rhombic" SMMs; 3.7 Oxime bridged SMMs with the core [MnIII 3 O] and ST = 6; 3.8 Magnetostructural correlations within a family of [MnIII 6 ] SMMs; 4 MMs Based on Fe(III) Ions; 5 New SMMs Based on Divalent 3d-Ions
6 Slow Relaxation in Complexes Involving 4f-Elements6.1 Single atom magnets; 6.2 Polymetallic 4f-complexes; 6.3 Heterometallic 3d-4f SMMs; 7 Metallocyanate Based SMMs; 8 Conclusions; References; 3. The Nanoscopic V15 Cluster: A Unique Magnetic Polyoxometalate Boris Tsukerblat and Alex Tarantul; 1 The Unique Magnetic Polyoxometalate V15; 2 Structure and Superexchange Pathways; 3 Exchange Interactions within the Triangle Model; 3.1 Isotropic exchange within the triangle model; 3.2 'Accidental' degeneracy and spin-frustration; 3.3 Pseudo-angular momentum representation
3.4 Antisymmetric exchange, zero-field splitting
Record Nr. UNINA-9910779071203321
Singapore ; ; Hackensack, N.J., : World Scientific Pub., c2012
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Molecular cluster magnets / / editor, Richard Winpenny
Molecular cluster magnets / / editor, Richard Winpenny
Edizione [1st ed.]
Pubbl/distr/stampa Singapore ; ; Hackensack, N.J., : World Scientific Pub., c2012
Descrizione fisica 1 online resource (312 p.)
Disciplina 541.378
Altri autori (Persone) WinpennyRichard
Collana World Scientific series in nanoscience and nanotechnology
Soggetto topico Nanostructured materials - Magnetic properties
Magnetochemistry
ISBN 981-4322-95-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto 3 Further SMMs Based on Mn(III)3.1 The largest SMM; a [Mn84] torus; 3.2 Record spin number, ST = 83/2, but no slow relaxation; 3.3 Record magnetic anisotropy barrier; a Mn6 cluster; 3.4 Quantum entanglement between SMMs; first discovered in a pair of Mn4 clusters; 3.5 [MnIII 3 MnIV] clusters with an S = 9/2 ground state; 3.6 The [MnIII 2 MnII 2 ] family of "rhombic" SMMs; 3.7 Oxime bridged SMMs with the core [MnIII 3 O] and ST = 6; 3.8 Magnetostructural correlations within a family of [MnIII 6 ] SMMs; 4 MMs Based on Fe(III) Ions; 5 New SMMs Based on Divalent 3d-Ions
6 Slow Relaxation in Complexes Involving 4f-Elements6.1 Single atom magnets; 6.2 Polymetallic 4f-complexes; 6.3 Heterometallic 3d-4f SMMs; 7 Metallocyanate Based SMMs; 8 Conclusions; References; 3. The Nanoscopic V15 Cluster: A Unique Magnetic Polyoxometalate Boris Tsukerblat and Alex Tarantul; 1 The Unique Magnetic Polyoxometalate V15; 2 Structure and Superexchange Pathways; 3 Exchange Interactions within the Triangle Model; 3.1 Isotropic exchange within the triangle model; 3.2 'Accidental' degeneracy and spin-frustration; 3.3 Pseudo-angular momentum representation
3.4 Antisymmetric exchange, zero-field splitting
Record Nr. UNINA-9910811158703321
Singapore ; ; Hackensack, N.J., : World Scientific Pub., c2012
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Single-Molecule Magnets : Molecular Architectures and Building Blocks for Spintronics
Single-Molecule Magnets : Molecular Architectures and Building Blocks for Spintronics
Autore Holynska Malgorzata
Pubbl/distr/stampa Newark : , : John Wiley & Sons, Incorporated, , 2019
Descrizione fisica 1 online resource (451 pages)
Disciplina 541.378
Soggetto topico Molecules - Magnetic properties
Magnets
ISBN 3-527-80991-0
3-527-80989-9
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Cover -- Title Page -- Copyright -- Contents -- Editorial -- Acknowledgment -- Chapter 1 Introduction to Single‐Molecule Magnets -- 1.1 What Is a Single‐Molecule Magnet? -- 1.1.1 Single‐Chain Magnets (SCMs) -- 1.1.2 Single‐Ion Magnets (SIMs) -- 1.1.3 Single‐Toroid Magnets (STMs) -- 1.2 Historical Aspects -- 1.3 Recent Progress -- 1.3.1 SMMs Based on Actinides -- 1.3.2 Organometallic SMMs -- 1.3.3 Rational Design of SMMs -- 1.3.4 Quantum Computing -- 1.3.5 SMMs in Molecular Machines -- 1.3.6 Magnetic Refrigerants -- 1.3.7 Applications in Other Disciplines -- Acknowledgment -- References -- Chapter 2 Unique Magnetic Properties -- 2.1 Introduction -- 2.2 Basic Electromagnetic Definitions -- 2.3 Magnetostatic Energy (Magnetic Work) -- 2.4 Thermodynamic Relations -- 2.5 Definition of ac Magnetic Susceptibility -- 2.6 Representative Results -- 2.6.1 ac Susceptibility Measurements in Tris(Acetylacetonato)iron(III), (Fe(acac)3) -- 2.6.2 ac Susceptibility Measurements in a One‐Dimensional Chain Based on Mn6 Units -- 2.6.3 Spin Relaxation in a Ferromagnetically Coupled Triangular Cu3 Complex -- 2.7 Technical Aspects of the ac Susceptibility Measurements -- 2.8 Intermolecular Interactions -- 2.9 Conclusions -- References -- Chapter 3 Magnetic Modeling of Single‐molecule Magnets -- 3.1 Introduction -- 3.2 Atoms in a Magnetic Field -- 3.2.1 Free Atoms in a Magnetic Field -- 3.2.1.1 Lande g‐Factor -- 3.2.2 Brillouin Theory -- 3.2.2.1 J = 1/2 Quantum Moment -- 3.2.2.2 General Quantum Case -- 3.2.3 Energy Spectrum -- 3.2.3.1 One Electron Case -- 3.2.3.2 Many Electrons Case -- 3.2.3.3 Pauli Principle - The Two Electrons Case -- 3.2.3.4 (L, S)‐Multiplets - The Two Electrons Case -- 3.2.3.5 (L, S)‐Coupling -- 3.2.4 Crystal Fields -- 3.2.5 Single‐ion Anisotropy -- 3.2.5.1 Heavy Rare‐Earths Case -- 3.2.5.2 Expressions of Hcf -- 3.2.5.3 Kramer's Theorem.
3.3 Magnetic Modeling Tools -- 3.3.1 PHI v.3.0: Software for the Analysis of Anisotropic Monomeric and Exchange‐coupled Polynuclear d‐ and f‐Block Complexes -- 3.3.1.1 General Theory -- 3.3.1.2 Hamiltonian Formalism for the Exchange Coupling -- 3.3.1.3 Calculation of Thermodynamic Properties -- 3.3.1.4 Irreducible Tensor Operators (ITOs) Method -- 3.3.1.5 The Isotropic Case: Stepladder Manganese(III) Inverse‐[9‐MC‐3]‐metallacrown -- 3.3.1.6 Anisotropic Exchange Coupling -- 3.3.2 Monte Carlo Simulations: The ALPS Project Release v.2.0: Open Source Software for Strongly Correlated Systems -- 3.3.2.1 Stochastic Series Expansion (SSE) Quantum Monte Carlo Algorithm -- 3.3.2.2 Local vs Nonlocal Updates -- 3.3.2.3 Thermalization Process -- 3.3.2.4 ALPS Project: Definition of Input Files -- 3.3.2.5 The Case of Heterometallic Molecular Wheels -- 3.3.2.6 The Case of High‐nuclearity Copper Cages: Tricorne Cu21 and Saddle‐like Cyclic Cu16 -- 3.3.2.7 Other Examples. The Case of a MnIII6MnII6 Molecular Wheel -- References -- Chapter 4 Insight into Magnetic and Electronic Properties Through HFEPR Studies -- 4.1 Introduction: Magnetic vs Electronic Properties of Transition Metal Ions Including SMMs and SIMs -- 4.2 Basics of HFEPR as Applied to SIMs and Other Transition Metal Complexes -- 4.2.1 Spin Hamiltonian -- 4.2.2 Methodology of Extracting ZFS and g Information from HFEPR Spectra -- 4.3 Applicability of HFEPR to Investigating SMMs and SIMs -- 4.3.1 Polynuclear Clusters -- 4.3.2 Dimers -- 4.3.3 Mononuclear Complexes -- 4.3.4 Limitations to HFEPR -- 4.3.5 Techniques Alternative to HFEPR -- 4.4 Interplay Between Spin Hamiltonian Parameters and Crystal/Ligand‐Field Parameters. From Simple Ligand Field to Sophisticated Quantum Chemical Calculations -- 4.4.1 Recapitulation -- Acknowledgment -- References -- Chapter 5 Other Techniques to Study Single‐Molecule Magnets.
5.1 Introduction -- 5.2 The Mössbauer Effect -- 5.3 The Basic Principles of Mössbauer Spectroscopy -- 5.4 Hyperfine Interactions -- 5.4.1 The Isomer Shift -- 5.4.2 Quadrupole Splitting -- 5.4.3 Magnetic Hyperfine Interactions -- 5.4.4 General Remarks -- 5.5 Relaxation Phenomena and Dynamics -- 5.5.1 Mixed‐Valence Systems -- 5.6 Application of Mössbauer Spectroscopy to Single‐Molecule Magnets -- 5.6.1 [FeIII8O2(OH)12(tacn)6]Br8 ⋅ 9H2O -- 5.6.2 (pyrH)5[FeIII13O4F24(OMe)12] ⋅ 4H2O ⋅ MeOH -- 5.6.3 [FeIII11O7(dea)3(piv)12]Cl ⋅ 5MeCN -- 5.6.4 [HFeIII19O14(OEt)30] -- 5.6.5 [FeIII4(OMe)6(dpm)6] -- 5.6.6 {FeIII[FeIII(L1)2]3} -- 5.6.7 [FeII2(acpypentO)(NCO)3] -- 5.6.8 [FeII9(X)2(O2CMe)8{(2‐py)2CO2}4] (X = N3−, NCO−, OH−) -- 5.6.9 [FeII7(OMe)6(Hbmsae)6]Cl2 ⋅ 6H2O -- 5.6.10 [FeIIFeIII(L)(O2CMe)2](ClO4) -- 5.6.11 [(Me3TPyA)2FeII2(L)](BArF4)2 and [(Me3TPyA)2FeII/III2(L)](BArF4)3 ⋅ CH2Cl2 -- 5.6.12 [(18‐C‐6)K(thf)2][(tbsL)Fe3] and [(crypt‐222)K][(tbsL)Fe3] -- 5.7 Application of Mössbauer Spectroscopy to Single‐Ion Magnets -- 5.7.1 [M(solv)n][(tpaR)FeII] -- 5.7.2 [K(crypr‐222)][FeI{C(SiMe3)3}2] -- 5.7.3 [FeII{C(SiMe3)3}2] -- 5.7.4 [FeII{N(SiMe3)(Dipp)}2] -- 5.7.5 [FeII{OC6H3‐2,6‐(C6H3‐iPr2)2}2] -- 5.7.6 [FeI(cAAC)2Cl] -- 5.7.7 [FeI(cAAC)2][B(C6F5)4] -- 5.7.8 [K(L)][FeI{N(SiMe3)3}2] -- 5.7.9 [FeII(Eind)2] -- 5.8 Application of Mössbauer Spectroscopy to Fe/4f Single‐Molecule Magnets -- 5.8.1 [FeIII4DyIII4(teaH)8(N3)8(H2O)] ⋅ H2O ⋅ 4MeCN -- 5.8.2 [FeIII2LnIII2(OH)2(teaH)2(O2CCPh)6] ⋅ 3MeCN (LnIII = CeIII to YbIII) -- 5.8.3 [FeIII4LnIII2(teaH)4(N3)7(piv)3] ⋅ (LnIII = YIII, GdIII, TbIII, DyIII, HoIII, ErIII) -- 5.8.4 [FeIII4DyIII2(OH)2(n‐bdea)4(C6H5CO2)8] ⋅ MeCN -- 5.8.5 [FeIII4DyIII2(OH)2(n‐bdea)4((CH3)3CCO2)6(N3)2] ⋅ 3MeCN -- 5.8.6 [Fe7Dy3(µ4‐O)2(µ3‐OH)2(mdea)7(µ‐benzoate)4(N3)6] ⋅ 2H2O ⋅ 7MeOH -- 5.8.7 [Fe4Dy2(µ4‐O)2(NO3)2(piv)6(Hedte)2] ⋅ 4MeCN ⋅ C6H5OH.
5.8.8 [FeIII2Dy2(µ3‐OH)2(teg)2(N3)2(C6H5CO2)4] -- 5.8.9 [FeIII2Dy2(µ3‐OH)2(pmide)2(p‐Me‐C6H5CO2)6] -- 5.8.10 [FeIII2DyIII2(OH)2(L1)2(HL2)2(NO3)4(H2O)1.5(MeOH)0.5] ⋅ 6MeCN -- 5.8.11 [FeIII2Ln2(H2L)4(NO3)2](ClO4)2 ⋅ 2MeOH ⋅ 2H2O (Ln = GdIII, DyIII, TbIII) -- 5.8.12 [FeIII3Ln(µ3‐O)2(CCl3CO2)8(H2O)(thf)3] ⋅ x(thf) ⋅ y(heptane) (LnIII = CeIII‐HoIII, LuIII, YIII) -- 5.8.13 [FeII2Dy(L)2(H2O)](ClO4)2 ⋅ 2H2O -- 5.9 Application of Mössbauer Spectroscopy to Cyanide‐Bridged Complexes -- 5.10 Other Spectroscopic Techniques Used to Study Iron‐Based SMMs -- 5.11 Conclusions -- References -- Chapter 6 Synthesis and Chemistry of Single‐molecule Magnets -- 6.1 General Introduction for the Synthesis of SMMs and SIMs‐Organization of the Chapter -- 6.2 Synthetic Aspects for Polynuclear 3d Metal SMMs -- 6.2.1 Approaches Using Simple 3d Metal Starting Materials -- 6.2.2 Approaches Using Preformed Coordination Clusters or SMMs as Starting Materials - Retention of Nuclearity -- 6.2.3 Approaches Using Preformed Coordination Clusters or SMMs as Starting Materials - Change of Nuclearity -- 6.3 Synthetic Aspects for Dinuclear and Polynuclear 4f Metal Complexes with SMM Properties -- 6.3.1 O‐Bridged Groups -- 6.3.2 Chlorido Bridges -- 6.3.3 Monoatomic and Polyatomic N‐based Ligands -- 6.3.4 Sulfur‐bridged SMMs -- 6.3.5 Organometallic Bridges -- 6.3.6 Radical‐bridged Lanthanide(III) SMMs -- 6.3.7 Multidecker Lanthanide(III)‐Phthalocyanine SMMs -- 6.4 Synthetic Aspects for Dinuclear and Polynuclear Actinide SMMs -- 6.5 Synthesis of 3d/4f‐, 3d/5f‐, 4f/5f‐Metal and Other Heterometallic SMMs -- 6.5.1 3d/4f‐Metal SMMs -- 6.5.2 3d/5f‐Metal SMMs -- 6.5.3 4f/5f‐Metal Clusters and SMMs -- 6.5.4 Other Heterometallic SMMs - the Synthetic Utility of the Cyano Ligand -- 6.6 Synthesis of 3d Metal SIMs -- 6.7 Synthetic Methodology for 4f Metal SIMs -- 6.7.1 Phthalocyanine‐based 4f Metal SIMs.
6.7.2 Non‐phthalocyanine 4f Metal SIMs -- 6.8 Synthetic Routes for 5f Metal SIMs -- 6.9 Concluding Comments in Brief-Prognosis for the Future -- References -- Chapter 7 Breakthrough in Radical‐bridged Single‐molecule Magnets -- 7.1 General Information About Organic Radicals and Their Magnetic Properties -- 7.2 3d Metal Radical SMMs -- 7.2.1 Nitroxide Radical SMMs -- 7.2.2 Carbene Radical SMMs -- 7.2.3 Benzosemiquinonoid and Nindigo Radical SMMs -- 7.3 4f Metal Radical SMMs -- 7.3.1 Phthalocyanine Radical SMMs -- 7.3.2 Nitroxide Radical SMMs -- 7.3.3 N23− Radical SMMs -- 7.3.4 Other 4f Radical SMMs -- 7.4 3d-4f Metal Radical SMMs -- 7.5 5f Metal Radical SMMs -- 7.6 Conclusions -- References -- Chapter 8 Assembly of Polynuclear Single‐molecule Magnets -- 8.1 Introduction -- 8.2 History -- 8.3 Topological Methods in Crystal Chemistry and Coordination Chemistry -- 8.3.1 General Overview of ToposPro -- 8.3.2 Example of the ToposPro Analysis of Polynuclear Coordination Clusters -- 8.4 Polynuclear Coordination Clusters Assembly and Topology -- 8.5 3d-4f PCCs -- 8.5.1 Synthetic Approach for 3d-4f PCCs -- 8.5.2 3d-4f SMMs PCCs -- 8.6 Assembly Examples and Graph Comparison -- 8.7 Targeting for New Topologies -- 8.8 Synthetic Aspects in Recent Examples -- 8.9 Perspective -- References -- Annexure -- Chapter 1 -- Chapter 2 -- Chapter 3 -- Chapter 4 -- Chapter 5 -- Chapter 6 -- Chapter 7 -- Chapter 8 -- Hints/Solutions -- About the Authors -- Index -- EULA.
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Newark : , : John Wiley & Sons, Incorporated, , 2019
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