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Originally delivered as a series of lectures, this volume systematically traces the evolution of the "spin" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of spin and valence; reviews a simple example of the origin of spin Hamiltonians; and explores spin density, spin populations, and spin correlation. Additional topics include nuclear hyperfine effects and electron spin-spin coupling, the g tensor, and chemical shifts and nuclear spin-spin coupling.
Readership: Graduate students, researchers and industrialists in chemistry, physics and biology.
This book presents a detailed account of one of the most mysterious problems in science — whether ordinary magnetic fields can exert an appreciable influence on chemical and biochemical reactions. The first aim of the book is to introduce this research, through theoretical and dynamic spin chemistry, to graduate students and researchers, by means of detailed theoretical and experimental descriptions. The second aim is to review typical recent investigations, which will stimulate new interest and applications in the 21st century. Because dynamic spin chemistry is based on established science, it is expected to provide a guide for all situations in which radicals, radical pairs, and higher spin species occur, including the effects of environmental electromagnetic fields on the human body.
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.
Spin Dynamics: Basics of Nuclear Magnetic Resonance, Second Edition is a comprehensive and modern introduction which focuses on those essential principles and concepts needed for a thorough understanding of the subject, rather than the practical aspects. The quantum theory of nuclear magnets is presented within a strong physical framework, supported by figures. The book assumes only a basic knowledge of complex numbers and matrices, and provides the reader with numerous worked examples and exercises to encourage understanding. With the explicit aim of carefully developing the subject from the beginning, the text starts with coverage of quarks and nucleons and progresses through to a detailed explanation of several important NMR experiments, including NMR imaging, COSY, NOESY and TROSY. Completely revised and updated, the Second Edition features new material on the properties and distributions of isotopes, chemical shift anisotropy and quadrupolar interactions, Pake patterns, spin echoes, slice selection in NMR imaging, and a complete new chapter on the NMR spectroscopy of quadrupolar nuclei. New appendices have been included on Euler angles, and coherence selection by field gradients. As in the first edition, all material is heavily supported by graphics, much of which is new to this edition. Written for undergraduates and postgraduate students taking a first course in NMR spectroscopy and for those needing an up-to-date account of the subject, this multi-disciplinary book will appeal to chemical, physical, material, life, medical, earth and environmental scientists. The detailed physical insights will also make the book of interest for experienced spectroscopists and NMR researchers. • An accessible and carefully written introduction, designed to help students to fully understand this complex and dynamic subject • Takes a multi-disciplinary approach, focusing on basic principles and concepts rather than the more practical aspects • Presents a strong pedagogical approach throughout, with emphasis placed on individual spins to aid understanding • Includes numerous worked examples, problems, further reading and additional notes Praise from the reviews of the First Edition: "This is an excellent book... that many teachers of NMR spectroscopy will cherish... It deserves to be a ‘classic’ among NMR spectroscopy texts." NMR IN BIOMEDICINE "I strongly recommend this book to everyone…it is probably the best modern comprehensive description of the subject." ANGEWANDTE CHEMIE, INTERNATIONAL EDITION
All atomic particles have a particular "spin." Simple as spin may sound, the quantum mechanical reality underlying it is complex and still poorly understood. Because of the wide range of physics needed for its understanding, spin is not described in sufficient depth by any standard textbook. Yet this mysterious quality and the statistics associated with it have vast practical importance to topics as wide-ranging as the stability of atoms and stars and magnetic resonance imaging. Originally published in 1974, Sin-itiro Tomonaga's The Story of Spin remains the most complete and accessible treatment of the subject, and is now available for the first time in English translation. Tomonaga tells the tale of the pioneers of physics and their difficult journey toward an understanding of the nature of spin and its relationship to statistics.
This book consists of a series of lectures introducing what the author believes to be the theoretical minimum for the understanding of nuclear spin dynamics, the branch of physics underpinning magnetic resonance techniques such as NMR and MRI. Spin dynamics ultimately concern the study of the state and time evolution of systems made by a large collection of particles possessing spin, one of the most subtle and indeed fascinating concepts in relativistic quantum mechanics and whose understanding requires a mix of quantum mechanics, Hamiltonian dynamics and advanced mathematics. Written in the concise and direct style appropriate for university lectures, this book is addressed to both undergraduate and postgraduate students who are approaching magnetic resonance studies and want to reach the theoretical minimum required to understand the wider topic and its main applications. The book is suitable for researchers who work in the field of magnetic resonance and want to know more about its theoretical fundamentals. Finally, built as a complete set of 12 lectures and 4 workshops, the book can act as a solid reference to lecturers of magnetic resonance university modules. Trained in a world-leading research laboratory internationally recognised for its contributions to the NMR field, the author has a track record in theoretical and methodological developments of nuclear spin dynamics. In this book, he tries to merge his passion for the understanding of physics through its mathematical rendering with his personal quest for the elegance of a clean, clear and satisfactory explanation.
Spin Dynamics: Basics of Nuclear Magnetic Resonance, Second Edition is a comprehensive and modern introduction which focuses on those essential principles and concepts needed for a thorough understanding of the subject, rather than the practical aspects. The quantum theory of nuclear magnets is presented within a strong physical framework, supported by figures. The book assumes only a basic knowledge of complex numbers and matrices, and provides the reader with numerous worked examples and exercises to encourage understanding. With the explicit aim of carefully developing the subject from the beginning, the text starts with coverage of quarks and nucleons and progresses through to a detailed explanation of several important NMR experiments, including NMR imaging, COSY, NOESY and TROSY. Completely revised and updated, the Second Edition features new material on the properties and distributions of isotopes, chemical shift anisotropy and quadrupolar interactions, Pake patterns, spin echoes, slice selection in NMR imaging, and a complete new chapter on the NMR spectroscopy of quadrupolar nuclei. New appendices have been included on Euler angles, and coherence selection by field gradients. As in the first edition, all material is heavily supported by graphics, much of which is new to this edition. Written for undergraduates and postgraduate students taking a first course in NMR spectroscopy and for those needing an up-to-date account of the subject, this multi-disciplinary book will appeal to chemical, physical, material, life, medical, earth and environmental scientists. The detailed physical insights will also make the book of interest for experienced spectroscopists and NMR researchers. • An accessible and carefully written introduction, designed to help students to fully understand this complex and dynamic subject • Takes a multi-disciplinary approach, focusing on basic principles and concepts rather than the more practical aspects • Presents a strong pedagogical approach throughout, with emphasis placed on individual spins to aid understanding • Includes numerous worked examples, problems, further reading and additional notes Praise from the reviews of the First Edition: "This is an excellent book... that many teachers of NMR spectroscopy will cherish... It deserves to be a ‘classic’ among NMR spectroscopy texts." NMR IN BIOMEDICINE "I strongly recommend this book to everyone...it is probably the best modern comprehensive description of the subject." ANGEWANDTE CHEMIE, INTERNATIONAL EDITION
In the twenty-five years since its discovery by Zavoiskii, the technique of electron spin resonance (ESR) spectroscopy has provided detailed struc tural information on a variety of paramagnetic organic and inorganic sys tems. It is doubtful that even much later than 1945 any chemist would have been so bold as to predict the great diversity of systems which have proved amenable to study by ESR spectroscopy. In this book we have attempted to provide numerous examples of actual ESR spectra to illus trate the wide scope of application. No attempt has been made to present a comprehensive coverage of the literature in any field, but references to reviews and key articles are given throughout the book. This introductory textbook had its origin in lecture notes prepared for an American Chemical Society short course on electron spin resonance. The present version is the result of extensive revision and expansion of the original notes. Experience with such courses has convinced us that there are large numbers of chemists, physicists, and biologists who have a strong interest in electron spin resonance. The mathematical training of most of the short-course students is limited to calculus. Their contact with theories of molecular structure is largely limited to that obtained in an elementary physical chemistry course. It is to an audience of such background that this book is directed.