Preface to First Edition |
Acknowledgments |
Preface to Second Edition |
Solutions |
Symbols |
Abbreviations |
Introduction / 1: |
Magnetic Properties of Nuclei / 1.1: |
The Chemical Shift / 1.2: |
Excitation and Relaxation / 1.3: |
Pulsed Experiments / 1.4: |
The Coupling Constant / 1.5: |
Quantitation and Complex Splitting / 1.6: |
Commonly Studied Nuclides / 1.7: |
Dynamic Effects / 1.8: |
Spectra of Solids / 1.9: |
Problems |
Tips on Solving NMR Problems |
References |
Further Reading |
Introductory Experimental Methods / 2: |
The Spectrometer / 2.1: |
Sample Preparation / 2.2: |
Optimizing the Signal / 2.3: |
Sample Tube Placement / 2.3.1: |
Probe Tuning / 2.3.2: |
Field/Frequency Locking / 2.3.3: |
Spectrometer Shimming / 2.3.4: |
Determination of NMR Spectral-Acquisition Parameters / 2.4: |
Number of Data Points / 2.4.1: |
Spectral Width / 2.4.2: |
Filter Bandwidth / 2.4.3: |
Acquisition Time / 2.4.4: |
Transmitter Offset / 2.4.5: |
Flip Angle / 2.4.6: |
Receiver Gain / 2.4.7: |
Number of Scans / 2.4.8: |
Steady-State Scans / 2.4.9: |
Oversampling and Digital Filtration / 2.4.10: |
Decoupling for X Nuclei / 2.4.11: |
Typical NMR Experiments / 2.4.12: |
Determination of NMR Spectral-Processing Parameters / 2.5: |
Exponential Weighting / 2.5.1: |
Zero Filling / 2.5.2: |
FID Truncation and Spectral Artifacts / 2.5.3: |
Resolution / 2.5.4: |
Determination of NMR Spectra: Spectral Presentation / 2.6: |
Signal Phasing and Baseline Correction / 2.6.1: |
Zero Referencing / 2.6.2: |
Determination of Certain NMR Parameters / 2.6.3: |
Chemical Shifts and Coupling Constants / 2.6.3.1: |
1H Integration / 2.6.3.2: |
Calibrations / 2.7: |
Pulse Width (Flip Angle) / 2.7.1: |
Decoupler Field Strength / 2.7.2: |
Factors That Influence Proton Shifts / 3: |
Local Fields / 3.1.1: |
Nonlocal Fields / 3.1.2: |
Proton Chemical Shifts and Structure / 3.2: |
Saturated Aliphatics / 3.2.1: |
Alkanes / 3.2.1.1: |
Functionalized Alkanes / 3.2.1.2: |
Unsaturated Aliphatics / 3.2.2: |
Alkynes / 3.2.2.1: |
Alkenes / 3.2.2.2: |
Aldehydes / 3.2.2.3: |
Aromatics / 3.2.3: |
Protons on Oxygen and Nitrogen / 3.2.4: |
Programs for Empirical Calculations / 3.2.5: |
Medium and Isotope Effects / 3.3: |
Medium Effects / 3.3.1: |
Isotope Effects / 3.3.2: |
Factors That Influence Carbon Shifts / 3.4: |
Carbon Chemical Shifts and Structure / 3.5: |
Acyclic Alkanes / 3.5.1: |
Cyclic Alkanes / 3.5.1.2: |
Unsaturated Compounds / 3.5.1.3: |
Alkynes and Nitriles / 3.5.2.1: |
Carbonyl Groups / 3.5.2.3: |
Tables of Chemical Shifts / 3.5.4: |
Further Tips on Solving NMR Problems |
First- and Second-order Spectra / 4: |
Chemical and Magnetic Equivalence / 4.2: |
Signs and Mechanisms of Coupling / 4.3: |
Couplings over One Bond / 4.4: |
Geminal Couplings / 4.5: |
Vicinal Couplings / 4.6: |
Long-range Couplings / 4.7: |
¿- ¿ Overlap / 4.7.1: |
Zigzag Pathways / 4.7.2: |
Through-Space Coupling / 4.7.3: |
Spectral Analysis / 4.8: |
Second-order Spectra / 4.9: |
Deceptive Simplicity / 4.9.1: |
Virtual Coupling / 4.9.2: |
Shift Reagents / 4.9.3: |
Isotope Satellites / 4.9.4: |
Tables of Coupling Constants / 4.10: |
Further Topics in One-Dimensional NMR Spectroscopy / 5: |
Spin-Lattice and Spin-Spin Relaxation / 5.1: |
Causes of Relaxation / 5.1.1: |
Measurement of Relaxation Time / 5.1.2: |
Transverse Relaxation / 5.1.3: |
Structural Ramifications / 5.1.4: |
Anisotropic Motion / 5.1.5: |
Segmental Motion / 5.1.6: |
Partially Relaxed Spectra / 5.1.7: |
Quadrupolar Relaxation / 5.1.8: |
Reactions on the NMR Time Scale / 5.2: |
Hindered Rotation / 5.2.1: |
Ring Reversal / 5.2.2: |
Atomic Inversion / 5.2.3: |
Valence Tautomerizations and Bond Shifts / 5.2.4: |
Quantification / 5.2.5: |
Magnetization Transfer and Spin Locking / 5.2.6: |
Multiple Resonance / 5.3: |
Spin Decoupling / 5.3.1: |
Difference Decoupling / 5.3.2: |
Classes of Multiple Resonance Experiments / 5.3.3: |
Off-resonance Decoupling / 5.3.4: |
The Nuclear Overhauser Effect / 5.4: |
Origin / 5.4.1: |
Observation / 5.4.2: |
Difference NOE / 5.4.3: |
Applications / 5.4.4: |
Limitations / 5.4.5: |
Spectral Editing / 5.5: |
The Spin-Echo Experiment / 5.5.1: |
The Attached Proton Test / 5.5.2: |
The DEPT Sequence / 5.5.3: |
Sensitivity Enhancement / 5.6: |
The INEPT sequence / 5.6.1: |
Refocused INEPT / 5.6.2: |
Spectral Editing with Refocused INEPT / 5.6.3: |
DEPT Revisited / 5.6.4: |
Carbon Connectivity / 5.7: |
Phase Cycling, Composite Pulses, and Shaped Pulses / 5.8: |
Phase Cycling / 5.8.1: |
Composite Pulses / 5.8.2: |
Shaped Pulses / 5.8.3: |
Two-Dimensional NMR Spectroscooy / 6: |
Proton-Proton Correlation Through/Coupling / 6.1: |
COSY45 / 6.1.1: |
Long-Range COSY (LRCOSY or Delayed COSY) / 6.1.2: |
Phase-Sensitive COSY (¿-COSY) / 6.1.3: |
Multiple Quantum Filtration / 6.1.4: |
TOtal Correlation SpectroscopY (TOCSY) / 6.1.5: |
Relayed COSY / 6.1.6: |
J-Resolved Spectroscopy / 6.1.7: |
COSY for Other Nuclides / 6.1.8: |
Proton-Heteronucleus Correlation / 6.2: |
HETCOR / 6.2.1: |
HMQC / 6.2.2: |
BIRD-HMQC / 6.2.3: |
HSQC / 6.2.4: |
COLOC / 6.2.5: |
HMBC / 6.2.6: |
Heteronuclear Relay Coherence Transfer / 6.2.7: |
Proton-Proton Correlation Through Space or Chemical Exchange / 6.3: |
Carbon-Carbon Correlation / 6.4: |
Higher Dimensions / 6.5: |
Pulsed Field Gradients / 6.6: |
Diffusion-Ordered Spectroscopy / 6.7: |
Summary of 2D Methods / 6.8: |
Advanced Experimental Methods / 7: |
Part A: One-Dimensional Techniques / 7.1: |
T1 Measurements / 7.1.1: |
13C Spectral Editing Experiments / 7.1.2: |
The APT Experiment / 7.1.2.1: |
The DEPT Experiment / 7.1.2.2: |
NOE Experiments / 7.1.3: |
The NOE Difference Experiment / 7.1.3.1: |
The Double-Pulse, Field-Gradient, Spin-Echo NOE Experiment / 7.1.3.2: |
Part B: Two-Dimensional Techniques / 7.2: |
Two-Dimensional NMR Data-Acquisition Parameters / 7.2.1: |
Number of Time Increments / 7.2.1.1: |
Spectral Widths / 7.2.1.3: |
Relaxation Delay / 7.2.1.4: |
Number of Scans per Time Increment / 7.2.1.8: |
Two-Dimensional NMR Data-Processing Parameters / 7.2.1.10: |
Weighting Functions / 7.2.2.1: |
Digital Resolution / 7.2.2.2: |
Linear Prediction / 7.2.2.4: |
Two-Dimensional NMR Data Display / 7.2.3: |
Phasing and Zero Referencing / 7.2.3.1: |
Symmetrization / 7.2.3.2: |
Use of Cross Sections in Analysis / 7.2.3.3: |
Part C: Two-Dimensional Techniques: The Experiments / 7.3: |
Homonuclear Chemical-Shift Correlation Experiments via Scalar / 7.3.1: |
Coupling |
The COSY Family: COSY-90°, COSY-45°, Long-Range COSY, and DQF-COSY / 7.3.1.1: |
The TOCSY Experiment / 7.3.1.2: |
Direct Heteronuclear Chemical-Shift Correlation via Scalar Coupling / 7.3.2: |
The HMQC Experiment / 7.3.2.1: |
The HSQC Experiment / 7.3.2.2: |
The HETCOR Experiment / 7.3.2.3: |
Indirect Heteronuclear Chemical-Shift Correlation via Scalar Coupling / 7.3.3: |
The HMBC Experiment / 7.3.3.1: |
The FLOCK Experiment / 7.3.3.2: |
The HSQC-TOCSY Experiment / 7.3.3.3: |
Homonuclear Chemical-Shift Correlation via Dipolar Coupling / 7.3.4: |
The NOESY Experiment / 7.3.4.1: |
The ROESY Experiment / 7.3.4.2: |
1D and Advanced 2D Experiments / 7.3.5: |
The 1D TOCSY Experiment / 7.3.5.1: |
The 1D NOESY and ROESY Experiments / 7.3.5.2: |
The Multiplicity-Edited HSQC Experiment / 7.3.5.3: |
The H2BC Experiment / 7.3.5.4: |
Nonuniform Sampling / 7.3.5.5: |
Pure Shift NMR / 7.3.5.6: |
Covariance NMR / 7.3.5.7: |
Pure Shift-Covariance NMR / 7.3.6: |
Structural Elucidation: Two Methods / 8: |
Part A: Spectral Analysis / 8.1: |
1H NMR Data / 8.1.1: |
13C NMR Data / 8.1.2: |
The COSY Experiment / 8.13: |
General Molecular Assembly Strategy / 8.1.6: |
A Specific Molecular Assembly Procedure / 8.1.8: |
Part B: Computer-Assisted Structure Elucidation / 8.1.9: |
CASE Procedures / 8.2.1: |
T-2 Toxin / 8.2.2: |
Derivation of the NMR Equation / Appendix A: |
The Bloch Equations / Appendix B: |
Reference |
Quantum Mechanical Treatment of the Two-Spin System / Appendix C: |
Analysis of Second-Order. Three- and Four-Spin Systems by Inspection / Appendix D: |
Relaxation / Appendix E: |
Product-Operator Formalism and Coherence-Level Diagrams / Appendix F: |
Stereochemical Considerations / Appendix G: |
Homotopics Groups / G.1: |
Enantiotopic Groups / G.2: |
Diastereotopic Groups / G.3: |
Index |
Preface to First Edition |
Acknowledgments |
Preface to Second Edition |
Solutions |
Symbols |
Abbreviations |