A complete introduction to modern NMR spectroscopy
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| Format: | Buch |
| Sprache: | English |
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New York [u.a.]
Wiley
1998
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| Schriftenreihe: | A Wiley-Interscience publication
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| 100 | 1 | |a Macomber, Roger S. |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a A complete introduction to modern NMR spectroscopy |c Roger S. Macomber |
| 264 | 1 | |a New York [u.a.] |b Wiley |c 1998 | |
| 300 | |a XVII, 382 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 0 | |a A Wiley-Interscience publication | |
| 650 | 4 | |a Nuclear magnetic resonance spectroscopy | |
| 650 | 0 | 7 | |a NMR-Spektroskopie |0 (DE-588)4075421-2 |2 gnd |9 rswk-swf |
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| 943 | 1 | |a oai:aleph.bib-bvb.de:BVB01-008200704 | |
Datensatz im Suchindex
| DE-BY-TUM_call_number | 0302 CHE 244f 1998 B 905 |
|---|---|
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| adam_text | CONTENTS
Preface xi
Acknowledgments xiii
Frequently Used Symbols and Abbreviations xv
Chapter 1 SPECTROSCOPY: SOME PRELIMINARY CONSIDERATIONS 1
1.1 What is NMR Spectroscopy? 1
1.2 Properties of Electromagnetic Radiation 1
1.3 Interaction of Radiation with Matter: The Classical Picture 3
1.4 Uncertainty and the Question of Time Scale 4
Chapter Summary 5
Review Problems 5
Chapter 2 MAGNETIC PROPERTIES OF NUCLEI 6
2.1 The Structure of an Atom 6
2.2 The Nucleus in a Magnetic Field 9
2.3 Nuclear Energy Levels and Relaxation Times 12
2.4 The Rotating Frame of Reference 15
2.5 Relaxation Mechanisms and Correlation Times 18
Chapter Summary 20
Additional Resources 20
Review Problems 20
Chapter 3 OBTAINING AN NMR SPECTRUM 22
3.1 Electricity and Magnetism 22
3.2 The NMR Magnet 24
3.3 Signal Generation the Old Way: The Continuous Wave (CW) Experiment 28
3.4 The Modern Pulsed Mode for Signal Acquisition 32
3.5 Line Widths, Lineshape, and Sampling Considerations 39
3.6 Measurement of Relaxation Times 41
Chapter Summary 46
v
vi CONTENTS
Additional Resources 4g
Review Problems 46
Chapter 4 A LITTLE BIT OF SYMMETRY 48
4.1 Symmetry Operations and Distinguishability 48
4.2 Conformations and Their Symmetry 51
4.3 Homotopic, Enantiotopic, and Diastereotopic Nuclei 53
4.4 Accidental Equivalence 54
Chapter Summary 54
Additional Resources 54
Review Problems 54
Chapter 5 THE *H AND nC NMR SPECTRA OF TOLUENE 56
5.1 The H NMR Spectrum of Toluene at 80 MHz 56
5.2 The Chemical Shift Scale 59
5.3 The 250 and 400 MHz H NMR Spectra of Toluene 60
5.4 The I3C NMR Spectrum of Toluene at 20.1,62.9, and 100.6 MHz 62
5.5 Data Acquisition Parameters 64
Chapter Summary 67
Review Problems 67
Chapter 6 CORRELATING PROTON CHEMICAL SHIFTS WITH MOLECULAR STRUCTURE 68
6.1 Shielding and Deshielding 68
6.2 Chemical Shifts of Hydrogens Attached to Tetrahedral Carbon 70
6.3 Vinyl and Formyl Hydrogen Chemical Shifts 74
6.4 Magnetic Anisotropy 77
6.5 Aromatic Hydrogen Chemical Shift Correlations 78
6.6 Hydrogen Attached to Elements Other than Carbon 81
Chapter Summary 85
References 86
Additional Resources 86
Review Problems 87
Chapter 7 CHEMICAL SHIFT CORRELATIONS FOR I3C AND OTHER ELEMENTS 88
7.1 13C Chemical Shifts Revisited 88
7.2 Tetrahedral (sp* Hybridized) Carbons 88
7.3 Heterocyclic Structures 91
7.4 Trigonal Carbons 92
7.5 Triply Bonded Carbons 96
7.6 Carbonyl Carbons 96
7.7 Miscellaneous Unsaturated Carbons 97
7.8 Summary of I3C Chemical Shifts 99
7.9 Chemical Shifts of Other Elements 101
Chapter Summary 102
References 102
Review Problems 103
SELF TEST I 106
Chapter 8 FIRST ORDER (WEAK) SPIN SPIN COUPLING0°
CONTENTS vii
8.2 The H Spectrum of Diethy 1 Ether 110
8.3 Homonuclear H Coupling: The Simplified Picture 112
8.4 The Spin Spin Coupling Checklist 113
8.5 Then+lRule 114
8.6 Heteronuclear Spin Spin Coupling 117
8.7 Review Examples 122
Chapter Summary 125
Review Problems 125
Chapter 9 FACTORS THAT INFLUENCE THE SIGN AND MAGNITUDE OF J:
SECOND ORDER (STRONG) COUPLING EFFECTS 132
9.1 Nuclear Spin Energy Diagrams and the Sign of J 132
9.2 Factors that Influence J: Preliminary Considerations 135
9.3 One Bond Coupling Constants 136
9.4 Two Bond (Geminal) Coupling Constants 138
9.5 Three Bond (Vicinal) Coupling Constants 138
9.6 Long Range Coupling Constants 142
9.7 Magnetic Equivalence 143
9.8 Pople Spin System Notation 144
9.9 Slanting Multiplets and Second Order (Strong Coupling) Effects 145
9.10 Calculated Spectra 149
9.11 The AX AB A2 Continuum 151
9.12 More About the ABX System: Deceptive Simplicity and Virtual Coupling 154
Chapter Summary 155
References 155
Review Problems 156
Chapter 10 THE STUDY OF DYNAMIC PROCESSES BY NMR 158
10.1 Reversible and Irreversible Dynamic Processes 158
10.2 Reversible Intramolecular Processes Involving Rotation Around Bonds 159
10.3 Simple Two Site Intramolecular Exchange 159
10.4 Reversible Intramolecular Chemical Processes 163
10.5 Reversible Intermolecular Chemical Processes 164
10.6 Reversible Intermolecular Complexation 165
10.7 Other Examples of Reversible Complexation: Chemical Shift Reagents 168
Chapter Summary 171
References 172
Review Problems 172
Chapter 11 ELECTRON PARAMAGNETIC RESONANCE SPECTROSCOPY AND
CHEMICALLY INDUCED DYNAMIC NUCLEAR POLARIZATION 176
11.1 Electron Paramagnetic Resonance 176
11.2 Free Radicals 176
11.3 The g Factor 177
11.4 Sensitivity Considerations 179
11.5 Hyperfine Coupling and the a Value 179
11.6 A Typical EPR Spectrum 181
11.7 CIDNP: Mysterious Behavior of NMR Spectrometers 182
11.8 The Net Effect 182
11.9 The Multiple! Effect 183
11.10 The Radical Pair Theory of The Net Effect 185
11.11 The Radical Pair Theory of the Multiplet Effect 187
viii CONTENTS
11.12 A Few Final Words about C1DNP 188
Chapter Summary 189
References 189
Review Problems 189
Chapter 12 DOUBLE RESONANCE TECHNIQUES AND COMPLEX PULSE SEQUENCES 191
12.1 What is Double Resonance? 19 ]
12.2 Heteronuclear Spin Decoupling 192
12.3 Polarization Transfer and the Nuclear Overhauser Effect 193
12.4 Gated and Inverse Gated Decoupling 196
12.5 Off Resonance Decoupling 196
12.6 Homonuclear Spin Decoupling 198
12.7 Homonuclear Difference NOE: The Test for Proximity 198
12.8 Other Homonuclear Double Resonance Techniques 200
12.9 Complex Pulse Sequences 201
12.10 The ./ Modulated Spin Echo and the APT Experiment 203
12.11 More About Polarization Transfer 205
12.12 Distortionless Enhancement by Polarization Transfer 210
Chapter Summary 210
References 211
Additional Resources 211
Review Problems 211
Chapter 13 TWO DIMENSIONAL NUCLEAR MAGNETIC RESONANCE 215
13.1 What is 2D NMR Spectroscopy? 215
13.2 2D Heteroscalar Shift Correlated Spectra 218
13.3 2D Homonuclear Shift Correlated Spectra 222
13.4 NOE Spectroscopy (NOESY) 228
13.5 Hetero and Homonuclear 2D ./ Resolved Spectra 229
13.6 1D and 2D INADEQUATE 230
13.7 2D NMR Spectra of Systems Undergoing Exchange 236
Chapter Summary 236
References 236
Additional Resources 236
Review Problems 236
SELF TEST II 244
Chapter 14 NMR STUDIES OF BIOLOGICALLY IMPORTANT MOLECULES 252
14.1 Introduction 252
14.2 NMR Line Widths of Biopolymers 252
14.3 Exchangeable and Nonexchangeable Protons 253
14.4 Chemical Exchange 254
14.5 The Effects of pH on the NMR Spectra of Biomolecules 256
14.6 NMR Studies of Proteins 256
14.7 NMR Studies of Nucleic Acids 263
14.8 Lipids and Biological Membranes 270
14.9 Carbohydrates 275
Chapter Summary 277
References 277
CONTENTS ix
Additional Resources 277
Review Problems 277
Chapter 15 SOLID STATE NMR SPECTROSCOPY 283
15.1 Why Study Materials in the Solid State? 283
15.2 Why is NMR of Solids Different from NMR of Fluids? 284
15.3 Chemical Shifts in Solids 286
15.4 Spin Spin Coupling 294
15.5 Quadrupole Coupling 297
15.6 Overcoming Long T : Cross Polarization 299
Chapter Summary 304
Additional Resources 304
Review Problems 304
Chapter 16 NMR IN MEDICINE AND BIOLOGY: NMR IMAGING 306
16.1 A Window into Anatomy and Physiology 306
16.2 Biomedical NMR 306
16.3 Pictures with NMR: Magnetic Resonance Imaging 309
16.4 Image Contrast 317
16.5 Higher Dimensional Imaging 322
16.6 Chemical Shift Imaging 323
16.7 NMR Movies: Echo Planar Imaging 325
16.8 NMR Microscopy 325
16.9 In Vivo NMR Spectroscopy 326
16.10 Nonmedical Applications of MRI 329
Chapter Summary 333
Additional Resources 333
Appendix 1 ANSWERS TO REVIEW PROBLEMS 334
Appendix 2 PERIODIC TABLE 369
SUBJECT INDEX 370
CHEMICAL COMPOUNDS INDEX 379
|
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| indexdate | 2024-12-23T14:54:45Z |
| institution | BVB |
| isbn | 0471157368 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-008200704 |
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| physical | XVII, 382 S. Ill., graph. Darst. |
| publishDate | 1998 |
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| publisher | Wiley |
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| series2 | A Wiley-Interscience publication |
| spellingShingle | Macomber, Roger S. A complete introduction to modern NMR spectroscopy Nuclear magnetic resonance spectroscopy NMR-Spektroskopie (DE-588)4075421-2 gnd |
| subject_GND | (DE-588)4075421-2 |
| title | A complete introduction to modern NMR spectroscopy |
| title_auth | A complete introduction to modern NMR spectroscopy |
| title_exact_search | A complete introduction to modern NMR spectroscopy |
| title_full | A complete introduction to modern NMR spectroscopy Roger S. Macomber |
| title_fullStr | A complete introduction to modern NMR spectroscopy Roger S. Macomber |
| title_full_unstemmed | A complete introduction to modern NMR spectroscopy Roger S. Macomber |
| title_short | A complete introduction to modern NMR spectroscopy |
| title_sort | a complete introduction to modern nmr spectroscopy |
| topic | Nuclear magnetic resonance spectroscopy NMR-Spektroskopie (DE-588)4075421-2 gnd |
| topic_facet | Nuclear magnetic resonance spectroscopy NMR-Spektroskopie |
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