NMR Spectroscopy:
Modern Spectral Analysis

w/ CD-ROM
by Ursula Weber
and Herbert Thiele

The state-of-the-art in NMR spectral analysis!

This interactive tutorial provides readers with a comprehensive range of software tools and techniques, as well as the necessary theoretical knowledge required to analyze their spectra and obtain the correct NMR parameters.

Modern Spectral Analysis provides expert guidance, by presenting efficient strategies to extract NMR parameters from measured spectra. A database of selected spectra and modern, powerful WIN-NMR software designed by Bruker are provided on the enclosed CD-ROM.

The programs provided are 1 D WIN-NMR, WIN-DAISY, WIN-DR and WIN-DYNAMICS, and direct data exchange between all these programs is possible. Readers are shown how they can obtain maximum structural information from their 1 D NMR spectra with time-saving computer assistance.

Practical problems that can occur and their solutions are discussed at length using clear, easy-to-follow examples. Both homo- and heteronuclear and first- and second-order spin systems are demonstrated. Moreover, relaxation analysis, nuclear Overhauser effects and magnetic site exchange are all covered in this hands-on guide to NMR spectral analysis.

Contents

1. Introduction
2. General Characteristics of Spin Systems
   • The Chemical Shift.
   • First Order Spin Systems.
   • Second Order Spin Systems.
   • Magnetic Equivalence.

3. Structure and Spin System Parameters
   • Symmetry Effects.
   • Configuration Isomers in NMR.
   • Conformation and NMR.

4. Spin Systems and the Periodic Table
   • Spin-1/2 Pure Elements.
   • Spin-1/2 Rare Isotopes.
   • Spin Systems with Quadrupolar Nuclei.

5. Time Dependent Phenomena
   • Relaxation Times.
   • Nuclear Overhauser Effect.
   • Magnetic Site Exchange

6. Appendix
   • Quantum Mechanical Theory
   • Spin System Probabilities
   • The Lineshape Fitting
   • Glossary
   • References

Index

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