NMR Spectroscopy Explained : Simplified Theory, Applications and
Examples for Organic Chemistry and Structural Biology provides
a fresh, practical guide to NMR for both students and
practitioners, in a clearly written and non-mathematical format. It
gives the reader an intermediate level theoretical basis for
understanding laboratory applications, developing concepts
gradually within the context of examples and useful experiments.
* Introduces students to modern NMR as applied to analysis of
organic compounds.
* Presents material in a clear, conversational style that is
appealing to students.
* Contains comprehensive coverage of how NMR experiments actually
work.
* Combines basic ideas with practical implementation of the
spectrometer.
* Provides an intermediate level theoretical basis for
understanding laboratory experiments.
* Develops concepts gradually within the context of examples and
useful experiments.
* Introduces the product operator formalism after introducing the
simpler (but limited) vector model.
Autorentext
Neil E. Jacobsen, PHD, is the NMR Facility Manager in the Department of Chemistry at the University of Arizona in Tucson, where he also teaches graduate-level NMR courses. He received his PhD in organic chemistry at the University of California-Berkeley and gained experience in protein NMR spectroscopy at the University of Washington and at Genentech, Inc.
Klappentext
A STEP-BY-STEP APPROACH TO UNDERSTANDING NMR SPECTROSCOPY
Used in concert with complementary analytical techniques such as light spectroscopy and mass spectrometry, Nuclear Magnetic Resonance (NMR) spectroscopy is the most powerful tool for the determination of organic structure. This book fosters a real-world understanding of NMR spectroscopy and how it works without burying the reader in technical details and physical and mathematical formalism. With an accessible, clear style and approach, NMR Spectroscopy Explained:
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Introduces readers to modern NMR spectroscopy as it is applied to the analysis of organic compounds and biomolecules
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Minimizes complicated theory and focuses on the practical aspects of NMR spectroscopy
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Provides comprehensive coverage of how NMR spectroscopy experiments actually work and how to optimize them on the spectrometer
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Provides examples of every experiment, with detailed interpretation of data
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Presents essential descriptive theory in mainly nonmathematical terms
The guide starts with a basic model and expands it one step at a time, complete with experiments and examples, helping readers who are not experts in physics or physical chemistry to develop an empowering understanding of even the most complex biological NMR spectroscopy techniques. It is an ideal reference for professionals in industry and academia who use NMR spectroscopy technology, NMR facility managers, and upper-level undergraduates and graduate students in organic chemistry, biochemistry, pharmacology, biophysics, and engineering.
Zusammenfassung
NMR Spectroscopy Explained : Simplified Theory, Applications and Examples for Organic Chemistry and Structural Biology provides a fresh, practical guide to NMR for both students and practitioners, in a clearly written and non-mathematical format. It gives the reader an intermediate level theoretical basis for understanding laboratory applications, developing concepts gradually within the context of examples and useful experiments.
- Introduces students to modern NMR as applied to analysis of organic compounds.
- Presents material in a clear, conversational style that is appealing to students.
- Contains comprehensive coverage of how NMR experiments actually work.
- Combines basic ideas with practical implementation of the spectrometer.
- Provides an intermediate level theoretical basis for understanding laboratory experiments.
- Develops concepts gradually within the context of examples and useful experiments.
- Introduces the product operator formalism after introducing the simpler (but limited) vector model.
Inhalt
Preface xi
Acknowledgments xv
1 Fundamentalsof NMR Spectroscopy in Liquids 1
1.1 Introduction to NMR Spectroscopy 1
1.2 Examples: NMR Spectroscopy of Oligosaccharides and Terpenoids 12
1.3 Typical Values of Chemical Shifts and Coupling Constants 27
1.4 Fundamental Concepts of NMR Spectroscopy 30
2 Interpretation of Proton (1 H) NMR Spectra 39
2.1 Assignment 39
2.2 Effect of B o Field Strength on the Spectrum 40
2.3 First-Order Splitting Patterns 45
2.4 The Use of 1 H 1 H Coupling Constants to Determine Stereochemistry and Conformation 52
2.5 Symmetry and Chirality in NMR 54
2.6 The Origin of the Chemical Shift 56
2.7 J Coupling to Other NMR-Active Nuclei 61
2.8 Non-First-Order Splitting Patterns: Strong Coupling 63
2.9 Magnetic Equivalence 71
3 NMR Hardware and Software 74
3.1 Sample Preparation 75
3.2 Sample Insertion 77
3.3 The Deuterium Lock Feedback Loop 78
3.4 The Shim System 81
3.5 Tuning and Matching the Probe 88
3.6 NMR Data Acquisition and Acquisition Parameters 90
3.7 Noise and Dynamic Range 108
3.8 Special Topic: Oversampling and Digital Filtering 110
3.9 NMR Data ProcessingOverview 118
3.10 The Fourier Transform 119
3.11 Data Manipulation Before the Fourier Transform 122
3.12 Data Manipulation After the Fourier Transform 126
4 Carbon-13 (13 C) NMR Spectroscopy 135
4.1 Sensitivity of 13 C 135
4.2 Splitting of 13 C Signals 135
4.3 Decoupling 138
4.4 Heteronuclear Decoupling: 1 H Decoupled 13 C Spectra 139
4.5 Decoupling Hardware 145
4.6 Decoupling Software: Parameters 149
4.7 The Nuclear Overhauser Effect (NOE) 150
4.8 Heteronuclear Decoupler Modes 152
5 NMR RelaxationInversion-Recovery and the Nuclear Overhauser Effect (NOE) 155
5.1 The Vector Model 155
5.2 One Spin in a Magnetic Field 155
5.3 A Large Population of Identical Spins: Net Magnetization 157
5.4 Coherence: Net Magnetization in the xy Plane 161
5.5 Relaxation 162
5.6 Summary of the Vector Model 168
5.7 Molecular Tumbling and NMR Relaxation 170
5.8 Inversion-Recovery: Measurement of T 1 Values 176
5.9 Continuous-Wave Low-Power Irradiation of One Resonance 181
5.10 Homonuclear Decoupling 182
5.11 Presaturation of Solvent Resonance 185
5.12 The Homonuclear Nuclear Overhauser Effect (NOE) 187
5.13 Summary of the Nuclear Overhauser Effect 198
6 The Spin Echo and the Attached Proton Test (APT) 200
6.1 The Rotating Frame of Reference 201
6.2 The Radio Frequency (RF) Pulse 203
6.3 The Effect of RF Pulses 206
6.4 Quadrature Detection Phase Cycling and the Receiver Phase 209
6.5 Chemical Shift Evolution 212
6.6 Scalar (J) Coupling Evolution 213
6.7 Examples of J-coupling and Chemical Shift Evolution 216
6.8 The Attached Proton Test (APT) 220
6.9 The Spin Echo 226
6.10 The Heteronuclear Spin Echo: Controlling J-Coupling Evolution and Chemical Shift Evolution 232
7 Coherence Transfer: INEPT and DEPT 238
7.1 Net Magnetization 238
7.2 Magnetization Transfer 241
7.3 The Product Operator Formalism: Introduction 242
7.4 Single Spin Product Operators: Chemical Shift Evolution 244
7.5 Two-Spin Operators: J-coupling Evolution and Antiphase Coherence 247
7.6 The Effect of RF …