Electron paramagnetic resonance (epr) spectroscopy is a sensitive and versatile method of studying paramagnets, which is finding increasing use in chemistry, biochemistry, earth and materials sciences. The technique is treated both qualitatively and quantitatively, with a progressive increase in sophistication in each succeeding chapter. Following a general introductory chapter, the first half of the book deals with single unpaired electron systems and considers both metal and ligand Zeeman, hyperfine and quadrupole interactions. The simulation of these spectra is discussed, followed by the relationship between spin-Hamiltonian parameters and models of the electronic structures of paramagnets. The second half of the book treats multiple unpaired electron systems using the same philosophy. An introduction to the epr properties of cluster compounds and of extended exchanging systems is also given. There is a chapter on linewidths and lineshapes, and an extensive appendix containing much additional information. A wide-ranging library of simulated and experimental spectra is given, as well as graphical data which should aid spectrum interpretation. Each chapter contains key references and there is a substantial subject and keyword index. This book is designed to teach epr spectroscopy to students without any previous knowledge of the technique. However, it will also be extremely useful to researchers dealing with paramagnetic d transition metals.

This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters have been written by leading experts in a given area, but with a wider audience in mind. The result is the standard reference on the topic, serving as a guide to the best computational methods for any given problem, and is thus an indispensable tool for scientists using quantum chemical calculations of NMR and EPR parameters. A must-have for all chemists, physicists, biologists and materials scientists who wish to augment their research by quantum chemical calculations of magnetic resonance data, but who are not necessarily specialists in these methods or their applications. Furthermore, specialists in one of the subdomains of this wide field will be grateful to find here an overview of what lies beyond their own area of focus.

Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction t

Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.

Spectral Methods in Transition Metal Complexes provides a conceptual understanding on how to interpret the optical UV-vis, vibrational EPR, and NMR spectroscopy of transition metal complexes. Metal complexes have broad applications across chemistry in the areas of drug discovery, such as anticancer drugs, sensors, special materials for specific requirements, and catalysis, so a thorough knowledge in preparation and characterization of metal complexes, while niche, is critical. Accessible to both the seasoned researcher and the graduate student alike, this book provides readers with a single source of content that addresses spectral methods in transition metal complexes. Provides readers with a single reference on metal complexes and coordination compounds Contains more than 100 figures, tables, and illustrations to aid in the retention of key concepts Authored by a scientist with nearly 40 years of experience in research and instruction