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High Resolution NMR : Theory and Chemical Applications - Edwin D. Becker

High Resolution NMR

Theory and Chemical Applications

Hardcover

Published: 1st October 1999
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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.
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

"This work not only bridges the decades and generations in NMR spectroscopy, but is also an exceptional handbook and reference resource. It simultaneously represents and illustrates the amazing--and still ongoing--enhancement of NMR, which has become an indispensable tool for so many applications in science, medicine and engineering. This book is an outstanding coordinating work, an excellent resource, and a reference for further studies in the field of NMR. I consider it a must for all NMR spectroscopists and teachers who deal with the subject. Also, I wholeheartedly recommend it to students, and to anyone else who wants to receive an enjoyable introduction to the exciting field of NMR spectroscopy and its applications." --Istvan Pelczer, Princeton University; THE NMR NEWSLETTER "The main aim of the third edition is to show the graduate researcher how a combination of steady state energy levels, classical vectors, density matrices and product operators may be used to understand complicated pulse sequences. This work undoubtedly succeeds in making a challenging and ever-changing area accessible and clear. From the beginning, the author made me feel extremly comfortable with 'non-classical' treatments of NMR. While the text deals with many other aspects of NMR, this book should be recommended as a starting text to anyone with a particular interest in density matrix theory." --Dr. Mick Mantle, Manager, University of Cambridge, TRENDS IN ANALYTICAL CHEMISTRY, Vol. 20, no. 1,2001.

Preface to the Third Editionp. xv
Introduction
Origins and Early History of NMRp. 2
High Resolution NMR: An Overviewp. 5
Additional Reading and Resourcesp. 12
The Theory of NMR
Nuclear Spin and Magnetic Momentp. 13
Theoretical Descriptions of NMRp. 14
Steady-State Quantum Mechanical Descriptionp. 16
Effect of the Boltzmann Distributionp. 19
Spin-Lattice Relaxationp. 20
Precession of Nuclear Magnetic Momentsp. 24
Classical Mechanical Description of NMRp. 27
Magnetization in the Rotating Framep. 32
Methods of Obtaining NMR Spectrap. 33
Dynamic Processesp. 39
Terminology, Symbols, Units, and Conventionsp. 43
Additional Reading and Resourcesp. 46
Problemsp. 46
Instrumentation and Techniques
Advantages of Pulse Fourier Transform NMRp. 49
Basic NMR Apparatusp. 51
Requirements for High Resolution NMRp. 52
Detection of NMR Signalsp. 56
Phase Cyclingp. 57
Fourier Transformation of the FIDp. 60
Data Acquisitionp. 61
Data Processingp. 68
Digital Filteringp. 72
Alternatives to Fourier Transformationp. 74
Sensitivity and Size of Samplep. 75
Useful Solventsp. 79
Additional Reading and Resourcesp. 80
Problemsp. 81
Chemical Shifts
The Origin of Chemical Shiftsp. 83
Theory of Chemical Shiftsp. 84
Measurement of Chemical Shiftsp. 87
Empirical Correlations of Chemical Shiftsp. 94
Some Aspects of Proton Chemical Shiftsp. 94
Nuclei Other Than Hydrogenp. 107
Compilations of Spectral Data and Empirical Estimates of Chemical Shiftsp. 108
Isotope Effectsp. 109
Effects of Molecular Asymmetryp. 109
Paramagnetic Speciesp. 112
Additional Reading and Resourcesp. 114
Problemsp. 115
Coupling between Pairs of Spins
Origin of Spin Coupling Interactionsp. 119
General Aspects of Spin-Spin Couplingp. 122
Theory of Spin-Spin Couplingp. 128
Correlation of Coupling Constants with Other Physical Propertiesp. 129
Effect of Exchangep. 132
Spin Decoupling and Double Resonancep. 133
Additional Reading and Resourcesp. 134
Problemsp. 135
Structure and Analysis of Complex Spectra
Symmetry and Equivalencep. 140
Notationp. 142
Energy Levels and Transitions in an AX Systemp. 143
Quantum Mechanical Treatmentp. 145
The Two-Spin System without Couplingp. 148
Factoring the Secular Equationp. 150
Two Coupled Spinsp. 151
The AB Spectrump. 154
AX, AB, and A[subscript 2] Spectrap. 157
"First-Order" Spectrap. 158
Symmetry of Spin Wave Functionsp. 161
General Procedures for Simulating Spectrap. 163
Three-Spin Systemsp. 164
Relative Signs of Coupling Constantsp. 168
Some Consequences of Strong Coupling and Chemical Equivalencep. 171
"Satellites" from Carbon-13 and Other Nuclidesp. 175
The AA'BB' and AA'XX' Systemsp. 176
Additional Reading and Resourcesp. 177
Problemsp. 178
Spectra of Solids
Spin Interactions in Solidsp. 184
Dipolar Interactionsp. 184
"Scalar Coupling"p. 187
The Heteronuclear Two-Spin Systemp. 187
Dipolar Decouplingp. 189
Cross Polarizationp. 190
The Homonuclear Two-Spin Systemp. 191
Line Narrowing by Multiple Pulse Methodsp. 192
Anisotropy of the Chemical Shieldingp. 194
Magic Angle Spinningp. 195
Quadrupole Interactions and Line-Narrowing Methodsp. 198
Other Aspects of Line Shapesp. 200
Orientation Effects in Liquids: Liquid Crystalsp. 201
Additional Reading and Resourcesp. 203
Problemsp. 203
Relaxation
Molecular Motions and Processes for Relaxation in Liquidsp. 206
Nuclear Magnetic Dipole Interactionsp. 209
Nuclear Overhauser Effectp. 212
Relaxation via Chemical Shielding Anisotropyp. 215
Electric Quadrupole Relaxationp. 216
Scalar Relaxationp. 217
Spin-Rotation Relaxationp. 219
Relaxation by Paramagnetic Substancesp. 220
Other Factors Affecting Relaxationp. 221
Additional Reading and Resourcesp. 224
Problemsp. 224
Pulse Sequences
The Spin Echop. 228
The Carr-Purcell Pulse Sequencep. 233
Correcting for Pulse Imperfectionsp. 234
Spin Lockingp. 236
Selective Excitationp. 237
Decouplingp. 242
Polarization Transfer Methodsp. 243
Additional Reading and Resourcesp. 249
Problemsp. 249
Two-Dimensional NMR
General Aspects of 2D Spectrap. 251
A Survey of Basic 2D Experimentsp. 259
Data Acquisition and Processingp. 268
Sensitivity Considerationsp. 274
Additional Reading and Resourcesp. 277
Problemsp. 277
Density Matrix and Product Operator Formalisms
The Density Matrixp. 280
Transformations of the Density Matrixp. 287
The One-Spin Systemp. 289
The Two-Spin Systemp. 293
INEPT and Related Pulse Sequencesp. 298
Product Operatorsp. 302
Coherence Transfer Pathwaysp. 311
Additional Reading and Resourcesp. 316
Problemsp. 316
Selected 1D, 2D, and 3D Experiments: A Further Look
Spectral Editingp. 317
Double Quantum Filtering Experimentsp. 322
COSYp. 327
Heteronuclear Correlation by Indirect Detectionp. 334
Three- and Four-Dimensional NMRp. 339
Additional Reading and Resourcesp. 345
Problemsp. 346
Elucidation of Molecular Structure and Macromolecular Conformation
Organic Structure Elucidationp. 348
Application of Some Useful 2D Methodsp. 352
Structure and Configuration of Polymersp. 355
Three-Dimensional Structure of Biopolymersp. 358
Additional Reading and Resourcesp. 367
NMR Imaging and Spatially Localized Spectroscopy
Use of Magnetic Field Gradients to Produce Imagesp. 369
Use of 2D NMR Methods in Imagingp. 371
k Space; Echo Planar Imagingp. 374
Factors Affecting Image Contrastp. 375
Chemical Shift Imaging and in Vivo Spectroscopyp. 378
NMR Imaging in Solidsp. 379
Additional Reading and Resourcesp. 380
Properties of Common Nuclear Spinsp. 381
ABX and AA'XX' Spectrap. 385
The ABX Systemp. 385
The AA'XX' Systemp. 389
Review of Relevant Mathematicsp. 393
Complex Numbersp. 393
Trigonometric Identitiesp. 394
Vectorsp. 394
Matricesp. 395
Spin Matricesp. 397
One Spinp. 397
Two-Spin Systemp. 397
Selected Answers to Problemsp. 401
Referencesp. 411
Indexp. 417
Table of Contents provided by Syndetics. All Rights Reserved.

ISBN: 9780120846627
ISBN-10: 0120846624
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 424
Published: 1st October 1999
Publisher: Elsevier Science Publishing Co Inc
Country of Publication: US
Dimensions (cm): 22.9 x 15.2  x 2.54
Weight (kg): 0.73
Edition Number: 3
Edition Type: Revised