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


Postgraduate students and Researchers in Chemistry and Physics

Table of Contents


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


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© 2012
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About the author

Roman Boča

Affiliations and Expertise

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