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The area of magnetic interactions in solids has been of technical importance and academic interest for several decades. The concept of superexchange was introduced in solid state physics in order to correlate observed magnetic behavior with electronic and crystal structure in simple inorganic systems like ferrites. These ideas were usually cast in terms of valence bond arguments and applied to high synmetry situations. In the past decade, inorganic chemists have been active in the characterization of the magnetic behavior of a wide range of transition metal polymers and clusters. In a few instances, it has been possible to deduce simple magnetic-structural correla tions for structural changes involving variation of a structural parameter over a rather limited range. Simul taneously, superexchange arguments have been recast in the language of chemistry and have provided the basis for the interpretation of these correlations on a molecular level. However, as of yet, the range of successful application of these principles has been quite limited. Thus, there was a timely need to bring together the people active in this area to discuss approaches and ideas that can help bring this area of research to maturity.
The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
The expert authors of this monograph and professional reference include Dante Gatteschi, a pioneer of molecular magnetism. Based on the spin Hamiltonian approach, this unified treatment makes extensive use of irreducible tensor techniques to analyze systems in which two or more spins are magnetically coupled. 177 figures, 38 tables, and a new Introduction by Dr. Gatteschi. 1990 edition.
This book is intended to collect in one place as much information as possible on the use of EPR spectroscopy in the analysis of systems in which two or more spins are magnetically coupled. This is a field where research is very active and chemists are elbow-to-elbow with physicists and biologists in the forefront. Here, as in many other fields, the contributions coming from different disciplines are very important, but for active researchers it is sometimes difficult to follow the literature, due to differences in languages, and sources which are familiar to, e. g. , a physicist, are exotic to a chemist. Therefore, an effort is needed in order to provide a unitary description of the many different phenomena which are collected under the title. In order to define the arguments which are treated, it is useful to state clearly what is not contained here. So we do not treat magnetic phenomena in conductors and we neglect ferro- and antiferromagnetic resonance. The basic foundations of EPR spectroscopy are supposed to be known by the reader, while we introduce the basis of magnetic interactions between spins. In the first two chapters we review the foundations of exchange interactions, trying to show how the magnetic parameters are bound to the electronic structure of the interacting centers.
Over the past 25 years, there have been many advances in the understanding of magnetic phenomena in molecular systems. For example, a variety of low-dimensional materials, and many new ferromagnetic, antiferromagnetic, and ferrimagnetic systems have been synthesized and analyzed; metal cluster compounds that exhibit magnetic exchange have been examined; new orbital overlap theories have been proposed to explain magneto-structural correlations in exchange coupled systems; and efforts directed toward the preparation of an organic ferromagnetic material have produced new and interesting compounds. There have also been many advances in the use of magnetism as a probe of inorganic biomolecules.This volume brings together reviews of current research in magnetochemistry that are written by the world's leading researchers in the fields of chemistry, physics, materials science, and magnetism. It contains comprehensive and in-depth reviews that describe some of the current activities of these scientists and their research and lays the foundation for future research endeavors.
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. - 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
This is a book about things in magnetism that interest me. I think that these are important things which will interest a number of other chemists. The restriction is important, because it is difficult to write well about those things which are less familiar to an author. In general, the chemistry and physics of coordination compounds are what this book is about. Magnetochemistry is the study of the ground states of metal ions. When the ions are not interacting, then the study of single-ion phenomena is called paramagnetism. When the metal ions interact, then we are concerned with collective phenomena such as occur in long-range ordering. Several years ago, Hans van Duyneveldt and I published a book that explored these subjects in detail. Since that time, the field has grown tremendously, and there has been a need to bring the book up to date. Furthermore, I have felt that it would be useful to include more subsidiary material to make the work more useful as a textbook. This book is the result of those feelings of mine.
It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.
The first of a two volume set, Volume 12 provides a long-awaited compilation of NMR theory to paramagnetic molecules. International experts report the latest developments in NMR methodology as applied to strongly relaxed and shifted resonances, detail the theoretical aspects of paramagnetic shift and relaxation, and discuss the interpretive bases of these molecular properties in relation to the structure and function of various paramagnetic molecules.
In the last few years, much attention has been given by theoretical chemists to the development of more accurate model functionals and faster computational techniques including excited electronic states. The 8th International Conference on the Applications of Density Functional Theory to Chemistry and Physics, held in Rome, Italy, on 6-10 September 1999, gathered chemists and physicists to present and discuss state-of-the-art methodological developments and applications of density functional theory (DFT) to increasingly complex systems. The scientists shared their knowledge and experience in DFT, enabling them to face the challenges posed by the needs of high level modeling and simulation in their disciplines. The meeting was opened with an exciting lecture delivered by Nobel laureate W Kohn. The growing use of DFT in studying organic, inorganic and organometallic molecules, clusters and solids provided the basis for the success of the conference, whose main contributions are collected in this invaluable book.