High Resolution NMR Theory and Chemical Applications 3rd Edition by Edwin Becker ISBN 9780080508061 0080508065
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Authors:Edwin D. Becker , Series:Science [30] , Tags:Science; Spectroscopy & Spectrum Analysis , Author sort:Becker, Edwin D. , Ids:9780120846627 , Languages:Languages:eng , Published:Published:Oct 1999 , Publisher:Elsevier Science , Comments:Comments:High Resolution NMR provides a broad treatment of the principles and theory of nuclear magnetic resonance (NMR) as it is used in the chemical sciences. It is written at an “intermediate” level, with mathematics used to augment, rather than replace, clear verbal descriptions of the phenomena. The book is intended to allow a graduate student, advanced undergraduate, or researcher to understand NMR at a fundamental level, and to see illustrations of the applications of NMR to the determination of the structure of small organic molecules and macromolecules, including proteins. Emphasis is on the study of NMR in liquids, but the treatment also includes high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. Careful attention is given to developing and interrelating four approaches – steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The presentation is based on the assumption that the reader has an acquaintance with the general principles of quantum mechanics, but no extensive background in quantum theory or proficiency in mathematics is required. Likewise, no previous background in NMR is assumed, since the book begins with a description of the basic physics, together with a brief account of the historical development of the field. This third edition of High Resolution NMR preserves the “conversational” approach of the previous editions that has been well accepted as a teaching tool. However, more than half the material is new, and the remainder has been revised extensively. Problems are included to reinforce concepts in the book. Uses mathematics to augment, not replace, verbal explanationsWritten in a clear and conversational styleFollows the successful format and approach of two previous editionsRevised and updated extensively–about 70 percent of the text is newIncludes problems and references to additional reading at the end of each chapter
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ISBN 10: 0080508065
ISBN 13: 9780080508061
Author: Edwin Becker
High Resolution NMR provides a broad treatment of the principles and theory of nuclear magnetic resonance (NMR) as it is used in the chemical sciences. It is written at an “intermediate” level, with mathematics used to augment, rather than replace, clear verbal descriptions of the phenomena. The book is intended to allow a graduate student, advanced undergraduate, or researcher to understand NMR at a fundamental level, and to see illustrations of the applications of NMR to the determination of the structure of small organic molecules and macromolecules, including proteins. Emphasis is on the study of NMR in liquids, but the treatment also includes high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy.
Careful attention is given to developing and interrelating four approaches – steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The presentation is based on the assumption that the reader has an acquaintance with the general principles of quantum mechanics, but no extensive background in quantum theory or proficiency in mathematics is required. Likewise, no previous background in NMR is assumed, since the book begins with a description of the basic physics, together with a brief account of the historical development of the field.
This third edition of High Resolution NMR preserves the “conversational” approach of the previous editions that has been well accepted as a teaching tool. However, more than half the material is new, and the remainder has been revised extensively. Problems are included to reinforce concepts in the book.
High Resolution NMR Theory and Chemical Applications 3rd Edition Table of contents:
Chapter 1. Introduction
1.1 Origins and Early History of NMR
1.2 High Resolution NMR: An Overview
1.3 Additional Reading and Resources
Chapter 2. The Theory of NMR
2.1 Nuclear Spin and Magnetic Moment
2.2 Theoretical Descriptions of NMR
2.3 Steady–State Quantum Mechanical Description
2.4 Effect of the Boltzmann Distribution
2.5 Spin-Lattice Relaxation
2.6 Precession of Nuclear Magnetic Moments
2.7 Classical Mechanical Description of NMR
2.8 Magnetization in the Rotating Frame
2.9 Methods of Obtaining NMR Spectra
2.10 Dynamic Processes
2.11 Terminology, Symbols, Units, and Conventions
2.12 Additional Reading and Resources
2.13 Problems
Chapter 3. Instrumentation and Techniques
3.1 Advantages of Pulse Fourier Transform NMR
3.2 Basic NMR Apparatus
3.3 Requirements for High Resolution NMR
3.4 Detection of NMR Signals
3.5 Phase Cycling
3.6 Fourier Transformation of the FID
3.7 Data Acquisition
3.8 Data Processing
3.9 Digital Filtering
3.10 Alternatives to Fourier Transformation
3.11 Sensitivity and Size of Sample
3.12 Useful Solvents
3.13 Additional Reading and Resources
3.14 Problems
Chapter 4. Chemical Shifts
4.1 The Origin of Chemical Shifts
4.2 Theory of Chemical Shifts
4.3 Measurement of Chemical Shifts
4.4 Empirical Correlations of Chemical Shifts
4.5 Some Aspects of Proton Chemical Shifts
4.6 Nuclei Other Than Hydrogen
4.7 Compilations of Spectral Data and Empirical Estimates of Chemical Shifts
4.8 Isotope Effects
4.9 Effects of Molecular Asymmetry
4.10 Paramagnetic Species
4.11 Additional Reading and Resources
4.12 Problems
Chapter 5. Coupling between Pairs of Spins
5.1 Origin of Spin Coupling Interactions
5.2 General Aspects of Spin–Spin Coupling
5.3 Theory of Spin–Spin Coupling
5.4 Correlation of Coupling Constants with Other Physical Properties
5.5 Effect of Exchange
5.6 Spin Decoupling and Double Resonance
5.7 Additional Reading and Resources
5.8 Problems
Chapter 6. Structure and Analysis of Complex Spectra
6.1 Symmetry and Equivalence
6.2 Notation
6.3 Energy Levels and Transitions in an AX System
6.4 Quantum Mechanical Treatment
6.5 The Two-Spin System without Coupling
6.6 Factoring the Secular Equation
6.7 Two Coupled Spins
6.8 The AB Spectrum
6.9 AX, AB, and A2 Spectra
6.10 “First-Order” Spectra
6.11 Symmetry of Spin Wave Functions
6.12 General Procedures for Simulating Spectra
6.13 Three-Spin Systems
6.14 Relative Signs of Coupling Constants
6.15 Some Consequences of Strong Coupling and Chemical Equivalence
6.16 “Satellites” from Carbon-13 and Other Nuclides
6.17 The AA’BB’ and AA’XX’ Systems
6.18 Additional Reading and Resources
6.19 Problems
Chapter 7. Spectra of Solids
7.1 spin Interactions in Solids
7.2 Dipolar Interactions
7.3 “Scalar Coupling”
7.4 The Heteronuclear Two-Spin System
7.5 Dipolar Decoupling
7.6 Cross Polarization
7.7 The Homonuclear Two-Spin System
7.8 Line Narrowing by Multiple Pulse Methods
7.9 Anisotropy of the Chemical Shielding
7.10 Magic Angle Spinning
7.11 Quadrupole Interactions and Line-Narrowing Methods
7.12 Other Aspects of Line Shapes
7.13 Orientation Effects in Liquids: Liquid Crystals
7.14 Additional Reading and Resources
7.15 Problems
Chapter 8. Relaxation
8.1 Molecular Motions and Processes for Relaxation in Liquids
8.2 Nuclear Magnetic Dipole Interactions
8.3 Nuclear Overhauser Effect
8.4 Relaxation via Chemical Shielding Anisotropy
8.5 Electric Quadrupole Relaxation
8.6 Scalar Relaxation
8.7 Spin–Rotation Relaxation
8.8 Relaxation by Paramagnetic Substances
8.9 Other Factors Affecting Relaxation
8.10 Additional Reading and Resources
8.11 Problems
Chapter 9. Pulse Sequences
9.1 The Spin Echo
9.2 The Carr–Purcell Pulse Sequence
9.3 Correcting for Pulse Imperfections
9.4 Spin Locking
9.5 Selective Excitation
9.6 Decoupling
9.7 Polarization Transfer Methods
9.8 Additional Reading and Resources
9.9 Problems
Chapter 10. Two-Dimensional NMR
10.1 General Aspects of 2D spectra
10.2 A Survey of Basic 2D Experiments
10.3 Data Acquisition and Processing
10.4 Sensitivity Considerations
10.5 Additional Reading and Resources
10.6 Problems
Chapter 11. Density Matrix and Product Operator Formalisms
11.1 The Density Matrix
11.2 Transformations of the Density Matrix
11.3 The One-Spin System
11.4 The Two-Spin System
11.5 INEPT and Related Pulse Sequences
11.6 Product Operators
11.7 Coherence Transfer Pathways
11.8 Additional Reading and Resources
11.9 Problems
Chapter 12. Selected 1D, 2D, and 3D Experiments: A Further Look
12.1 Spectral Editing
12.2 Double Quantum Filtering Experiments
12.3 COSY
12.4 Heteronuclear Correlation by Indirect Detection
12.5 Three- and Four-Dimensional NMR
12.6 Additional Reading and Resources
12.7 Problems
Chapter 13. Elucidation of Molecular Structure and Macromolecular Conformation
13.1 Organic Structure Elucidation
13.2 Application of Some Useful 2D Methods
13.3 Structure and Configuration of Polymers
13.4 Three-Dimensional Structure of Biopolymers
13.5 Additional Reading and Resources
Chapter 14. NMR Imaging and Spatially Localized Spectroscopy
14.1 Use of Magnetic Field Gradients to Produce Images
14.2 Use of 2D NMR Methods in Imaging
14.3 k Space; Echo Planar Imaging
14.4 Factors Affecting Image Contrast
14.5 Chemical Shift Imaging and in Vivo Spectroscopy
14.6 NMR Imaging in Solids
14.7 Additional Reading and Resources
Appendix A. Properties of Common Nuclear Spins
Appendix B. ABX and AA’XX’ Spectra
B.l The ABX System
B.2 The AA’XX’ System
Appendix C. Review of Relevant Mathematics
C.1 Complex Numbers
C.2 Trigonometric Identities
C.3 Vectors
C.4 Matrices
Appendix D. Spin Matrices
D.1 One Spin
D.2 Two-Spin System
Appendix E. Selected Answers to Problems
References
Index
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