High-Resolution NMR Techniques in Organic Chemistry,

Chapter 1: Introduction

• 1.1 The development of high-resolution NMR
• 1.2 Modern high-resolution NMR and this book
• 1.3 Applying modern NMR techniques

Chapter 2: Introducing High-Resolution NMR

• 2.1 Nuclear spin and resonance
• 2.2 The vector model of NMR
• 2.3 Time and frequency domains
• 2.4 Spin relaxation
• 2.5 Mechanisms for relaxation
• 2.6 Dynamic effects in NMR

Chapter 3: Practical Aspects of High-Resolution NMR

• 3.1 An overview of the NMR spectrometer
• 3.2 Data acquisition and processing
• 3.3 Preparing the sample
• 3.4 Preparing the spectrometer
• 3.5 Spectrometer calibrations
• 3.6 Spectrometer performance tests

Chapter 4: One-Dimensional Techniques

• 4.1 Single-pulse experiment
• 4.2 Spin-decoupling methods
• 4.3 Spectrum editing with spin-echoes
• 4.4 Sensitivity enhancement and spectrum editing
• 4.5 Observing quadrupolar nuclei

Chapter 5: Introducing Two-Dimensional and Pulsed Field Gradient NMR

• 5.1 Two-dimensional experiments
• 5.2 Practical aspects of 2D NMR
• 5.3 Coherence and coherence transfer
• 5.4 Gradient-selected spectroscopy

Chapter 6: Correlations Through the Chemical Bond I: Homonuclear Shift Correlation

• 6.1 Correlation Spectroscopy: COSY
• 6.2 Total correlation spectroscopy: TOCSY
• 6.3 Correlating dilute spins: INADEQUATE
• 6.4 Correlating dilute spins via protons: ADEQUATE

Chapter 7: Correlations Through the Chemical Bond II: Heteronuclear Shift Correlation

• 7.1 Introduction
• 7.2 Sensitivity
• 7.3 Heteronuclear single-bond correlations
• 7.4 Heteronuclear multiple-bond correlations
• 7.5 Heteronuclear X-detected correlations
• 7.6 Heteronuclear X–Y correlations
• 7.7 Parallel acquisition NMR with multiple receivers

Chapter 8: Separating Shifts and Couplings: J-Resolved and Pure Shift Spectroscopy

• 8.1 Introduction
• 8.2 Heteronuclear J-resolved spectroscopy
• 8.3 Homonuclear J-resolved spectroscopy
• 8.4 ‘Indirect’ homonuclear J-resolved spectroscopy
• 8.5 Pure shift broadband-decoupled ¹H spectroscopy

Chapter 9: Correlations Through Space: The Nuclear Overhauser Effect

• 9.1 Introduction
  Part I Theoretical Aspects
• 9.2 Defi nition of the NOE
• 9.3 Steady-State NOEs
• 9.4 Transient NOEs
• 9.5 Rotating Frame NOEs
  Part II Practical Aspects
• 9.6 Measuring Transient NOEs: NOESY
• 9.7 Measuring Rotating Frame NOEs: ROESY
• 9.8 Measuring Steady-State NOEs: NOE Difference
• 9.9 Measuring Heteronuclear NOEs: HOESY
• 9.10 Experimental Considerations for NOE Measurements
• 9.11 Measuring Chemical Exchange: EXSY
• 9.12 Residual Dipolar Couplings

Chapter 10: Diffusion NMR Spectroscopy

• 10.1 Introduction
• 10.2 Measuring self-diffusion by NMR
• 10.3 Practical aspects of diffusion NMR spectroscopy
• 10.4 Applications of diffusion NMR spectroscopy
• 10.5 Hybrid diffusion sequences

Chapter 11: Protein–Ligand Screening by NMR

• 11.1 Introduction
• 11.2 Protein–ligand binding equilibria
• 11.3 Resonance lineshapes and relaxation editing
• 11.4 Saturation transfer difference
• 11.5 Water-LOGSY
• 11.6 Exchange-transferred nuclear Overhauser effects
• 11.7 Competition ligand screening
• 11.8 Protein observe methods

Chapter 12: Experimental Methods

• 12.1 Composite pulses
• 12.2 Adiabatic and broadband pulses
• 12.3 Broadband decoupling and spin locking
• 12.4 Selective excitation and soft pulses
• 12.5 Solvent suppression
• 12.6 Suppression of zero-quantum coherences
• 12.7 Heterogeneous samples and magic angle spinning
• 12.8 Hyperpolarisation

Chapter 13: Structure Elucidation and Spectrum Assignment

• 13.1 ¹H NMR
• 13.2 ¹H–¹³C edited HSQC
• 13.3 ¹H–¹H COSY and variants
• 13.4 ¹H–¹H TOCSY and variants
• 13.5 ¹³C NMR
• 13.6 HMBC and variants
• 13.7 Nuclear Overhauser effects
• 13.8 Rationalization of ¹H–¹H coupling constants
• 13.9 Summary