It is amazing how much information can be gleaned from a magnetic resonance spectrum by one who knows. That series of lines on chart paper may conceal anything from energies of activation and spin densities, to conformations and differentiation of isomers. In order to be able to deduce such things about the structure and properties of molecules in a sample, it is necessary to be familiar with the underlying principles, and to arrive at that state of understanding is not easy. This book was conceived and written in an attempt to clarify what is necessary theoretical equipment for anyone wishing to extract the maximum information from a magnetic resonance spectrum. It is also written for those who will find a fascination and great satisfaction in the way this subject, which involves so many sides of modern physics, holds together. It seems to the author, from experience, that the difficulty of getting to grips with the theory of magnetism and magnetic resonance is two sided. On the one hand one has forgotten, or never really known, the principles of electromagnetism on which it is based, and on the other, detailed analysis of the spectra requires a certain facility with the operator techniques of quantum mechanics. In both cases the principle difficulty appears to be unfamiliarity, so the chief aim in this book will be to introduce the enquirer to the relevent language in a reasonably connected fashion.
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ISBN-13
978-1-4684-7859-4 (9781468478594)
DOI
10.1007/978-1-4684-7859-4
Schweitzer Klassifikation
1 Introduction and Basic Theory for a Particle in a Field.- 1.1. Introduction.- 1.2. Electostatics and Magnetrostactics.- 1.3. Interactions of Dipoles and Quadrupoles with Fields.- 1.4. Steady Currents and Magnetic Fields.- 1.5. Effects of Changing Fields.- 1.6. The Vector Potential.- 1.7. The Magnetogyric Ratio and Spin.- 2 Elements of Quantum Theory.- 2.1. Hamilton's Form of Mechanics.- 2.2. Transition to Quantum Mechanics.- 2.3. Commutation Relations.- 2.4. Approximate Methods.- 2.5. The Interaction between Radiation and Matter.- 2.6. Theories of Molecular Structure.- 2.7. Quantum Theory of Spin.- 3 The Observation of Magnetic Resonance.- 3.1. The Resonance Condition.- 3.2. Experimental set-up.- 3.3. Preliminary Look at the Intensity of Absorption.- 3.4. Line Shapes: Classical Introduction.- 3.5. Solution of the Block Equations for Irradiated Samples.- 4 Parameters obtained from Magnetic Resonance Spectra.- 4.1. Introduction.- 4.2. Parameters from Liquid Samples.- 4.3. Some Second-order Effects.- 4.4. Magnetic Resonance in Solid Samples.- 4.5. Magnetic Resonance in the Gas Phase.- 4.6. ESR of Triplet State Molecules.- 5 Theory of Chemical Shifts and g-Values. The Influence of Electronic Orbital Angular Momentum on the Position of Resonance.- 5.1. Expressions for the Magnetic Interactions.- 5.2. g-Values and Chemical Shifts in Atoms.- 5.3. Quenching of Orbital Angular Momentum.- 5.4. The Effects of Spin-Orbit Coupling.- 5.5. The Effective Spin Hamiltonian.- 5.6. Predictions of g-Factors and Chemical Shifts.- 5.7. Further Examples of Chemical Shifts.- 5.8. Proton Chemical Shifts.- 6 The Theory of Coupling Constants.- 6.1. Introduction.- 6.2. Hyperfine Splitting in ESR Spectra.- 6.3. Molecular Orbital Theory of Coupling Constants in Free Radicals.- 6.4. TheValence-Bond Theory of Coupling Constants-Spin Polarization-Negative Spin Density.- 6.5. Anisotropic Coupling Constants in Solids.- 6.6. Nuclear Spin-Spin Coupling in Solution.- 6.7. Valence Bond Theory of Proton Coupling Constants.- 6.8. Molecular Orbital Theories of Coupling Constants.- 7 Time-dependent Effects in Magnetic Resonance.- 7.1. Consequences of Brownian Motion.- 7.2. Nuclear Quadrupole Relaxation.- 7.3. Effects of Changing Environment of a Spin-Interchange Between two Types of Position.- 7.4. Double Resonance.- 7.5. Electron-nuclear Double Resonance.- Further Reading.
