A Handbook of Magnetochemical Formulae - 1st Edition - ISBN: 9780124160149, 9780123914453

A Handbook of Magnetochemical Formulae

1st Edition

Authors: Roman Boča
eBook ISBN: 9780123914453
Hardcover ISBN: 9780124160149
Imprint: Elsevier
Published Date: 1st February 2012
Page Count: 1010
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Description

Magnetochemistry is concerned with the study of magnetic properties in materials. It investigates the relationship between the magnetic properties of chemical compounds and their atomic and molecular structure. This rapidly growing field has a number of applications, and the measuring and interpreting of magnetic properties is often conducted by scientists who are not specialists in the field. Magnetochemistry requires complex mathematics and physics and so can be daunting for those who have not previously studied it in depth. Aimed at providing a single source of information on magnetochemistry, this book offers a comprehensive and contemporary review of the mathematical background and formula for predicting or fitting magnetic data, including a summary of the theory behind magnetochemistry to help understand the necessary calculations. Along with tables listing the key formula, there is also a model of the magnetic functions showing the effect of individual magnetic parameters. The clear structure and comprehensive coverage of all aspects of magnetochemistry will make this an essential book for advanced students and practitioners.

Key Features

  • Provides comprehensive overview of the mathematical background of magnetochemistry
  • Uses clear and accessible language so scientists in a variety of fields can utilize the information
  • Detailed explanations of equations and formula

Readership

Postgraduate students and Researchers in Chemistry and Physics

Table of Contents

Preface

PART ONE: Energy Levels

1. Molecular Symmetry

1.1 Some Definitions

1.2 Point Groups

1.3 Double Groups

1.4 Symmetry Descent

1.5 Symmetry Rising

1.6 Labelling the Energy Levels

1.7 Symmetry Group

2. Coupling Coefficients

2.1 Coupling Coefficients for the Rotational Group

2.2 Coupling Coefficients for Finite Groups

3. From Operators to Response Functions

3.1 Interactions and Their Description

3.2 Irreducible Tensors and Tensor Operators

3.3 Equivalent Operators

3.4 Thermodynamics of Magnetism

3.5 Correction of Magnetic Data

3.6 Magnetism in Alternating Fields

4. Free-Atom Energy Levels

4.1 Definitions

4.2 Atomic Configurations

4.3 Atomic Terms

4.4 Atomic Multiplets

4.5 The Zeeman Interaction

5. Crystal-Field Theory

5.1 Crystal-Field Potential

5.2 The Method of Operator Equivalent

5.3 Narrow Multiplets

5.4 General CFT for a Single Electron

5.5 General Many-Electron CFT

5.6 Weak-Field Terms

5.7 Weak-Field Multiplets

5.8 Strong-Field Terms and Multiplets

5.9 Interrelations

PART TWO: Mononuclear Systems

6. Magnetism of Mononuclear Spin Systems

6.1 Overview

6.2 Curie Paramagnets

6.3 ZFS Systems

6.4 Zeeman Term

6.5 Magnetostructural D-Correlation

7. Magnetic Angular Momentum

7.1 Magnetism of Coupled Angular Momenta

7.2 Magnetism of 4f-Multiplets

7.3 Magnetism of Ground T-terms

7.4 Magnetism of Interacting T-terms

7.5 Magnetism on Symmetry Lowering

8. Magnetism of Manifold Term Systems

8.1 Spin-Admixed States

8.2 Magnetism of E-term Systems

8.3 Complete dn Space

8.4 Modelling the Spin-Hamiltonian Parameters

8.5 Spin Crossover Systems

PART THREE: Polynuclear Systems

9. Magnetism of Polynuclear Spin Systems

9.1 General Spin Hamiltonian

9.2 Exchange Interaction

9.3 Molecular States and Spin States

9.4 Freeon Theory

10. Spin Algebra for the Exchange Interaction

10.1 Spin Operators

10.2 Uncoupled Basis Set

10.3 Transformation to a Coupled Basis Set

10.4 Direct Evaluation in the Coupled Basis Set

10.5 Vector Addition Model

11. Symmetry of the Spin Systems

11.1 Factorisation of Matrices

11.2 Classification of Spin States

11.3 Symmetrised Basis Set

12. Magnetism of Dinuclear Spin Systems

12.1 Isotropic Exchange

12.2 Zeeman Interaction

12.3 Antisymmetric Exchange

12.4 Asymmetric Exchange

12.5 Biquadratic Exchange

12.6 Double Exchange

12.7 Orbital Angular Momentum

12.8 Misalignment

13. Magnetism of Trinuclear Spin Systems

13.1 Isotropic Exchange

13.2 Zeeman Interaction

13.3 Antisymmetric Exchange

13.4 Asymmetric Exchange

13.5 Biquadratic Exchange

13.6 Double Exchange

13.7 Jahn–Teller Effect in triangulo Systems

14. Magnetism of Polyhedral Spin Systems

14.1 Tetranuclear Systems

14.2 Polynuclear Systems

14.3 Double Exchange

14.4 Jahn–Teller Effect in Systems of Cubic Symmetry

14.5 Employment of Molecular Symmetry

15. Magnetism of Chains and Rings

15.1 Finite Systems

15.2 Infinite Chains

APPENDIX A. Constants and Functions

APPENDIX B. Energy Levels

APPENDIX C. Magnetochemical Formulae

Appendix C1 Review of Magnetism for Mononuclear Complexes

Appendix C2 Spin-Hamiltonian Magnetism

Appendix C3 Orbital Hamiltonian Magnetism

Appendix C4 Magnetism of Manifold Term Systems

Appendix C5 Exchange Interaction

Appendix C6 Zero-Field Energy Levels for Homonuclear Spin Systems (Modelling)

Appendix C7 Zeeman Interaction in Dinuclear Spin-Systems (Formulae)

Appendix C8 Zeeman Interaction in Dinuclear Spin-Systems (Modelling)

Appendix C9 Antisymmetric Exchange in Dinuclear Spin-Systems (Formulae)

Appendix C10 Antisymmetric Exchange in Dinuclear Spin-Systems (Modelling)

Appendix C11 Asymmetric Exchange in Dinuclear Spin-Systems (Formulae)

Appendix C12 Asymmetric Exchange in Dinuclear Spin-Systems (Modelling)

Appendix C13 Biquadratic Exchange in Dinuclear Spin-Systems

Appendix C14 Isotropic Exchange in Trinuclear Spin-Systems

Appendix C15 Zeeman Interaction in Trinuclear Spin-Systems (Formulae)

Appendix C16 Zeeman Interaction in Trinuclear Spin-Systems (Modelling)

Appendix C17 Antisymmetric Exchange in Trinuclear Spin-Systems (Formulae)

Appendix C18 Antisymmetric Exchange in Trinuclear Spin-Systems (Modelling)

Appendix C19 Asymmetric Exchange in Trinuclear Spin-Systems (Formulae)

Appendix C20 Asymmetric Exchange in Trinuclear Spin-Systems (Modelling)

Appendix C21 Biquadratic Exchange in Trinuclear Spin-Systems

Appendix C22 Double Exchange in Trinuclear Spin-Systems

Appendix C23 Exchange Interactions in Tetranuclear Spin Systems

Appendix C24 Exchange Interactions in Tetranuclear Spin-Systems (Modelling)

Appendix C25 Exchange Interactions in Chains and Rings

References

Details

No. of pages:
1010
Language:
English
Copyright:
© Elsevier 2012
Published:
Imprint:
Elsevier
eBook ISBN:
9780123914453
Hardcover ISBN:
9780124160149

About the Author

Roman Boča

Affiliations and Expertise

Institute of Inorganic Chemistry, Slovak University of Technology, Bratislava, Slovakia