
High Resolution NMR
Theory and Chemical Applications
By: Edwin D. Becker
Hardcover | 4 October 1999 | Edition Number 3
At a Glance
424 Pages
Revised
23.44 x 15.82 x 2.41
Hardcover
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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 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
Industry Reviews
Preface to the Third Edition | p. xv |
Introduction | |
Origins and Early History of NMR | p. 2 |
High Resolution NMR: An Overview | p. 5 |
Additional Reading and Resources | p. 12 |
The Theory of NMR | |
Nuclear Spin and Magnetic Moment | p. 13 |
Theoretical Descriptions of NMR | p. 14 |
Steady-State Quantum Mechanical Description | p. 16 |
Effect of the Boltzmann Distribution | p. 19 |
Spin-Lattice Relaxation | p. 20 |
Precession of Nuclear Magnetic Moments | p. 24 |
Classical Mechanical Description of NMR | p. 27 |
Magnetization in the Rotating Frame | p. 32 |
Methods of Obtaining NMR Spectra | p. 33 |
Dynamic Processes | p. 39 |
Terminology, Symbols, Units, and Conventions | p. 43 |
Additional Reading and Resources | p. 46 |
Problems | p. 46 |
Instrumentation and Techniques | |
Advantages of Pulse Fourier Transform NMR | p. 49 |
Basic NMR Apparatus | p. 51 |
Requirements for High Resolution NMR | p. 52 |
Detection of NMR Signals | p. 56 |
Phase Cycling | p. 57 |
Fourier Transformation of the FID | p. 60 |
Data Acquisition | p. 61 |
Data Processing | p. 68 |
Digital Filtering | p. 72 |
Alternatives to Fourier Transformation | p. 74 |
Sensitivity and Size of Sample | p. 75 |
Useful Solvents | p. 79 |
Additional Reading and Resources | p. 80 |
Problems | p. 81 |
Chemical Shifts | |
The Origin of Chemical Shifts | p. 83 |
Theory of Chemical Shifts | p. 84 |
Measurement of Chemical Shifts | p. 87 |
Empirical Correlations of Chemical Shifts | p. 94 |
Some Aspects of Proton Chemical Shifts | p. 94 |
Nuclei Other Than Hydrogen | p. 107 |
Compilations of Spectral Data and Empirical Estimates of Chemical Shifts | p. 108 |
Isotope Effects | p. 109 |
Effects of Molecular Asymmetry | p. 109 |
Paramagnetic Species | p. 112 |
Additional Reading and Resources | p. 114 |
Problems | p. 115 |
Coupling between Pairs of Spins | |
Origin of Spin Coupling Interactions | p. 119 |
General Aspects of Spin-Spin Coupling | p. 122 |
Theory of Spin-Spin Coupling | p. 128 |
Correlation of Coupling Constants with Other Physical Properties | p. 129 |
Effect of Exchange | p. 132 |
Spin Decoupling and Double Resonance | p. 133 |
Additional Reading and Resources | p. 134 |
Problems | p. 135 |
Structure and Analysis of Complex Spectra | |
Symmetry and Equivalence | p. 140 |
Notation | p. 142 |
Energy Levels and Transitions in an AX System | p. 143 |
Quantum Mechanical Treatment | p. 145 |
The Two-Spin System without Coupling | p. 148 |
Factoring the Secular Equation | p. 150 |
Two Coupled Spins | p. 151 |
The AB Spectrum | p. 154 |
AX, AB, and A[subscript 2] Spectra | p. 157 |
"First-Order" Spectra | p. 158 |
Symmetry of Spin Wave Functions | p. 161 |
General Procedures for Simulating Spectra | p. 163 |
Three-Spin Systems | p. 164 |
Relative Signs of Coupling Constants | p. 168 |
Some Consequences of Strong Coupling and Chemical Equivalence | p. 171 |
"Satellites" from Carbon-13 and Other Nuclides | p. 175 |
The AA'BB' and AA'XX' Systems | p. 176 |
Additional Reading and Resources | p. 177 |
Problems | p. 178 |
Spectra of Solids | |
Spin Interactions in Solids | p. 184 |
Dipolar Interactions | p. 184 |
"Scalar Coupling" | p. 187 |
The Heteronuclear Two-Spin System | p. 187 |
Dipolar Decoupling | p. 189 |
Cross Polarization | p. 190 |
The Homonuclear Two-Spin System | p. 191 |
Line Narrowing by Multiple Pulse Methods | p. 192 |
Anisotropy of the Chemical Shielding | p. 194 |
Magic Angle Spinning | p. 195 |
Quadrupole Interactions and Line-Narrowing Methods | p. 198 |
Other Aspects of Line Shapes | p. 200 |
Orientation Effects in Liquids: Liquid Crystals | p. 201 |
Additional Reading and Resources | p. 203 |
Problems | p. 203 |
Relaxation | |
Molecular Motions and Processes for Relaxation in Liquids | p. 206 |
Nuclear Magnetic Dipole Interactions | p. 209 |
Nuclear Overhauser Effect | p. 212 |
Relaxation via Chemical Shielding Anisotropy | p. 215 |
Electric Quadrupole Relaxation | p. 216 |
Scalar Relaxation | p. 217 |
Spin-Rotation Relaxation | p. 219 |
Relaxation by Paramagnetic Substances | p. 220 |
Other Factors Affecting Relaxation | p. 221 |
Additional Reading and Resources | p. 224 |
Problems | p. 224 |
Pulse Sequences | |
The Spin Echo | p. 228 |
The Carr-Purcell Pulse Sequence | p. 233 |
Correcting for Pulse Imperfections | p. 234 |
Spin Locking | p. 236 |
Selective Excitation | p. 237 |
Decoupling | p. 242 |
Polarization Transfer Methods | p. 243 |
Additional Reading and Resources | p. 249 |
Problems | p. 249 |
Two-Dimensional NMR | |
General Aspects of 2D Spectra | p. 251 |
A Survey of Basic 2D Experiments | p. 259 |
Data Acquisition and Processing | p. 268 |
Sensitivity Considerations | p. 274 |
Additional Reading and Resources | p. 277 |
Problems | p. 277 |
Density Matrix and Product Operator Formalisms | |
The Density Matrix | p. 280 |
Transformations of the Density Matrix | p. 287 |
The One-Spin System | p. 289 |
The Two-Spin System | p. 293 |
INEPT and Related Pulse Sequences | p. 298 |
Product Operators | p. 302 |
Coherence Transfer Pathways | p. 311 |
Additional Reading and Resources | p. 316 |
Problems | p. 316 |
Selected 1D, 2D, and 3D Experiments: A Further Look | |
Spectral Editing | p. 317 |
Double Quantum Filtering Experiments | p. 322 |
COSY | p. 327 |
Heteronuclear Correlation by Indirect Detection | p. 334 |
Three- and Four-Dimensional NMR | p. 339 |
Additional Reading and Resources | p. 345 |
Problems | p. 346 |
Elucidation of Molecular Structure and Macromolecular Conformation | |
Organic Structure Elucidation | p. 348 |
Application of Some Useful 2D Methods | p. 352 |
Structure and Configuration of Polymers | p. 355 |
Three-Dimensional Structure of Biopolymers | p. 358 |
Additional Reading and Resources | p. 367 |
NMR Imaging and Spatially Localized Spectroscopy | |
Use of Magnetic Field Gradients to Produce Images | p. 369 |
Use of 2D NMR Methods in Imaging | p. 371 |
k Space; Echo Planar Imaging | p. 374 |
Factors Affecting Image Contrast | p. 375 |
Chemical Shift Imaging and in Vivo Spectroscopy | p. 378 |
NMR Imaging in Solids | p. 379 |
Additional Reading and Resources | p. 380 |
Properties of Common Nuclear Spins | p. 381 |
ABX and AA'XX' Spectra | p. 385 |
The ABX System | p. 385 |
The AA'XX' System | p. 389 |
Review of Relevant Mathematics | p. 393 |
Complex Numbers | p. 393 |
Trigonometric Identities | p. 394 |
Vectors | p. 394 |
Matrices | p. 395 |
Spin Matrices | p. 397 |
One Spin | p. 397 |
Two-Spin System | p. 397 |
Selected Answers to Problems | p. 401 |
References | p. 411 |
Index | p. 417 |
Table of Contents provided by Syndetics. All Rights Reserved. |
ISBN: 9780120846627
ISBN-10: 0120846624
Published: 4th October 1999
Format: Hardcover
Language: English
Number of Pages: 424
Audience: Professional and Scholarly
Publisher: ACADEMIC PR INC
Country of Publication: US
Edition Number: 3
Edition Type: Revised
Dimensions (cm): 23.44 x 15.82 x 2.41
Weight (kg): 0.72
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- Non-FictionEngineering & TechnologyTechnology in General
- Non-FictionScienceChemistryAnalytical ChemistryMagnetic Resonance
- Non-FictionMedicineOther Branches of MedicineMedical ImagingNuclear Magnetic Resonance NMR & MRI
- Non-FictionScienceChemistryPhysical Chemistry
- Non-FictionEngineering & TechnologyBiochemical Engineering
- Non-FictionScienceBiology, Life SciencesBiochemistry