NMR Facility

Department of Chemistry University of Oxford

Nuclear Magnetic Resonance (NMR) Spectroscopy remains the foremost analytical technique for the structure elucidation of organic molecules and an indispensable tool for the synthetic, medicinal and natural product chemist. New techniques continue to emerge and the application of NMR methods continues to expand. High-Resolution NMR Techniques in Organic Chemistry is designed for use in academic and industrial NMR facilities, as a text for graduate-level NMR courses, and as an accessible reference for the chemist's or spectroscopist's desk.

 

 

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Figures from the third edition are available for downloading as Powerpoint files from the publisher's support site. Please acknowledge their source as appropriate if used in presentations etc.

The third edition of this classic text emphasizes:

-Recent developments in the field, with practical guidance on implementation, execution, application and interpretation.

-Advances in hardware, pulse sequence development, and associated experimental methodologies.

New sections include:

-Dynamic effects in NMR spectra and measurement of exchange rate constants by NMR.

-Modern experimental developments including pure shift NMR, residual dipolar couplings, hyperpolarisation, NMR with multiple receivers and fast methods.

-A new chapter on protein-ligand binding experiments.

-A new worked example chapter on structure elucidation using 1D and 2D NMR techniques.

Contents

  • 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 Definition 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
  • Appendix

 


Reviewers' comments of the first edition

"This is a very well produced and nicely laid-out book.... the descriptions, explanations, diagrams and spectra given here are clearer than in most of its rivals"
Steven Firth, The Alchemist, ChemWeb, 2000

"The explanations are clear and concise... the references are well done and up-to-date. This book is a practical guide for the beginner as well as a launching pad for the NMR enthusiast. It should be found in every NMR facility."
Ben Shoulders, J.A.C.S, 2000

"The book is an excellent reference source and guide for the most common NMR experiments used by organic chemists, and it is also an excellent textbook for organic graduate and postdoctoral students.... Overall this a very good text, both well written and easy to understand....I highly recommend the text."
Rickey P. Hicks, J. Nat. Prod., 2000

"For the budding NMR spectroscopist, for the synthetic chemist with an interest in and contact with NMR spectroscopy, and also as a foundation for graduate-level courses on NMR techniques, this book is highly recommended... It is essential for every NMR laboratory dealing with small and mid-sized molecules"
Ruth Gschwind, Angewandte Chemie, 2001