High Resolution NMR: Theory and Chemical Applications
Regular price
57.500 KD
inc. VAT
Couldn't load pickup availability
Table of contents
- High Resolution NMR: Theory and Chemical Applicationsiii
- Copyright Pageiv
- Contentsv
- Preface to the Third Editionxv
- Chapter 1. Introduction1
- 1.1 Origins and Early History of NMR2
- 1.2 High Resolution NMR: An Overview5
- 1.3 Additional Reading and Resources12
- Chapter 2. The Theory of NMR13
- 2.1 Nuclear Spin and Magnetic Moment13
- 2.2 Theoretical Descriptions of NMR14
- 2.3 Steady–State Quantum Mechanical Description16
- 2.4 Effect of the Boltzmann Distribution19
- 2.5 Spin-Lattice Relaxation20
- 2.6 Precession of Nuclear Magnetic Moments24
- 2.7 Classical Mechanical Description of NMR27
- 2.8 Magnetization in the Rotating Frame32
- 2.9 Methods of Obtaining NMR Spectra33
- 2.10 Dynamic Processes39
- 2.11 Terminology, Symbols, Units, and Conventions43
- 2.12 Additional Reading and Resources46
- 2.13 Problems46
- Chapter 3. Instrumentation and Techniques49
- 3.1 Advantages of Pulse Fourier Transform NMR49
- 3.2 Basic NMR Apparatus51
- 3.3 Requirements for High Resolution NMR52
- 3.4 Detection of NMR Signals56
- 3.5 Phase Cycling57
- 3.6 Fourier Transformation of the FID60
- 3.7 Data Acquisition61
- 3.8 Data Processing68
- 3.9 Digital Filtering72
- 3.10 Alternatives to Fourier Transformation74
- 3.11 Sensitivity and Size of Sample75
- 3.12 Useful Solvents79
- 3.13 Additional Reading and Resources80
- 3.14 Problems81
- Chapter 4. Chemical Shifts83
- 4.1 The Origin of Chemical Shifts83
- 4.2 Theory of Chemical Shifts84
- 4.3 Measurement of Chemical Shifts87
- 4.4 Empirical Correlations of Chemical Shifts94
- 4.5 Some Aspects of Proton Chemical Shifts94
- 4.6 Nuclei Other Than Hydrogen107
- 4.7 Compilations of Spectral Data and Empirical Estimates of Chemical Shifts108
- 4.8 Isotope Effects109
- 4.9 Effects of Molecular Asymmetry109
- 4.10 Paramagnetic Species112
- 4.11 Additional Reading and Resources114
- 4.12 Problems115
- Chapter 5. Coupling between Pairs of Spins119
- 5.1 Origin of Spin Coupling Interactions119
- 5.2 General Aspects of Spin–Spin Coupling122
- 5.3 Theory of Spin–Spin Coupling128
- 5.4 Correlation of Coupling Constants with Other Physical Properties129
- 5.5 Effect of Exchange132
- 5.6 Spin Decoupling and Double Resonance133
- 5.7 Additional Reading and Resources134
- 5.8 Problems135
- Chapter 6. Structure and Analysis of Complex Spectra139
- 6.1 Symmetry and Equivalence140
- 6.2 Notation142
- 6.3 Energy Levels and Transitions in an AX System143
- 6.4 Quantum Mechanical Treatment145
- 6.5 The Two-Spin System without Coupling148
- 6.6 Factoring the Secular Equation150
- 6.7 Two Coupled Spins151
- 6.8 The AB Spectrum154
- 6.9 AX, AB, and A2 Spectra157
- 6.10 "First-Order" Spectra158
- 6.11 Symmetry of Spin Wave Functions161
- 6.12 General Procedures for Simulating Spectra163
- 6.13 Three-Spin Systems164
- 6.14 Relative Signs of Coupling Constants168
- 6.15 Some Consequences of Strong Coupling and Chemical Equivalence171
- 6.16 "Satellites" from Carbon-13 and Other Nuclides175
- 6.17 The AA'BB' and AA'XX' Systems176
- 6.18 Additional Reading and Resources177
- 6.19 Problems178
- Chapter 7. Spectra of Solids183
- 7.1 spin Interactions in Solids184
- 7.2 Dipolar Interactions184
- 7.3 "Scalar Coupling"187
- 7.4 The Heteronuclear Two-Spin System187
- 7.5 Dipolar Decoupling189
- 7.6 Cross Polarization190
- 7.7 The Homonuclear Two-Spin System191
- 7.8 Line Narrowing by Multiple Pulse Methods192
- 7.9 Anisotropy of the Chemical Shielding194
- 7.10 Magic Angle Spinning195
- 7.11 Quadrupole Interactions and Line-Narrowing Methods198
- 7.12 Other Aspects of Line Shapes200
- 7.13 Orientation Effects in Liquids: Liquid Crystals201
- 7.14 Additional Reading and Resources203
- 7.15 Problems203
- Chapter 8. Relaxation205
- 8.1 Molecular Motions and Processes for Relaxation in Liquids206
- 8.2 Nuclear Magnetic Dipole Interactions209
- 8.3 Nuclear Overhauser Effect212
- 8.4 Relaxation via Chemical Shielding Anisotropy215
- 8.5 Electric Quadrupole Relaxation216
- 8.6 Scalar Relaxation217
- 8.7 Spin–Rotation Relaxation219
- 8.8 Relaxation by Paramagnetic Substances220
- 8.9 Other Factors Affecting Relaxation221
- 8.10 Additional Reading and Resources224
- 8.11 Problems224
- Chapter 9. Pulse Sequences227
- 9.1 The Spin Echo228
- 9.2 The Carr–Purcell Pulse Sequence233
- 9.3 Correcting for Pulse Imperfections234
- 9.4 Spin Locking236
- 9.5 Selective Excitation237
- 9.6 Decoupling242
- 9.7 Polarization Transfer Methods243
- 9.8 Additional Reading and Resources248
- 9.9 Problems248
- Chapter 10. Two-Dimensional NMR251
- 10.1 General Aspects of 2D spectra251
- 10.2 A Survey of Basic 2D Experiments259
- 10.3 Data Acquisition and Processing268
- 10.4 Sensitivity Considerations274
- 10.5 Additional Reading and Resources277
- 10.6 Problems277
- Chapter 11. Density Matrix and Product Operator Formalisms279
- 11.1 The Density Matrix280
- 11.2 Transformations of the Density Matrix287
- 11.3 The One-Spin System289
- 11.4 The Two-Spin System293
- 11.5 INEPT and Related Pulse Sequences298
- 11.6 Product Operators302
- 11.7 Coherence Transfer Pathways311
- 11.8 Additional Reading and Resources316
- 11.9 Problems316
- Chapter 12. Selected 1D, 2D, and 3D Experiments: A Further Look317
- 12.1 Spectral Editing317
- 12.2 Double Quantum Filtering Experiments322
- 12.3 COSY327
- 12.4 Heteronuclear Correlation by Indirect Detection334
- 12.5 Three- and Four-Dimensional NMR339
- 12.6 Additional Reading and Resources345
- 12.7 Problems346
- Chapter 13. Elucidation of Molecular Structure and Macromolecular Conformation347
- 13.1 Organic Structure Elucidation348
- 13.2 Application of Some Useful 2D Methods352
- 13.3 Structure and Configuration of Polymers355
- 13.4 Three-Dimensional Structure of Biopolymers358
- 13.5 Additional Reading and Resources367
- Chapter 14. NMR Imaging and Spatially Localized Spectroscopy369
- 14.1 Use of Magnetic Field Gradients to Produce Images369
- 14.2 Use of 2D NMR Methods in Imaging371
- 14.3 k Space; Echo Planar Imaging374
- 14.4 Factors Affecting Image Contrast375
- 14.5 Chemical Shift Imaging and in Vivo Spectroscopy378
- 14.6 NMR Imaging in Solids379
- 14.7 Additional Reading and Resources380
- Appendix A. Properties of Common Nuclear Spins381
- Appendix B. ABX and AA'XX' Spectra385
- B.l The ABX System385
- B.2 The AA'XX' System389
- Appendix C. Review of Relevant Mathematics393
- C.1 Complex Numbers393
- C.2 Trigonometric Identities394
- C.3 Vectors394
- C.4 Matrices395
- Appendix D. Spin Matrices397
- D.1 One Spin397
- D.2 Two-Spin System397
- Appendix E. Selected Answers to Problems401
- References411
- Index417
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.
Key Features
* Uses mathematics to augment, not replace, verbal explanations
* Written in a clear and conversational style
* Follows the successful format and approach of two previous editions
* Revised and updated extensively--about 70 percent of the text is new
* Includes problems and references to additional reading at the end of each chapter
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.
Key Features
* Uses mathematics to augment, not replace, verbal explanations
* Written in a clear and conversational style
* Follows the successful format and approach of two previous editions
* Revised and updated extensively--about 70 percent of the text is new
* Includes problems and references to additional reading at the end of each chapter