Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment of all branches by one author, or even by several, becomes increasingly difficult. This series is planned to present articles written by experts working in various fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Analysis of NMR Spectra A Guide for Chemists R. A. HOFFMAN t S. FORSEN Division of Physical Chemistry, Chemical Center, Lund Institute of Technology, Lund, Sweden B. GESTBLOM Institute of Physics, University of Uppsala, Sweden Contents I. Principles of NMR Spectroscopy 4 1. 1. The Magnetic Resonance Phenomenon 4 a) Nuclear Moments. . . . . . . . 4 b) Magnetic Spin States and Energy Levels 5 c) The Magnetic Resonance Condition. 7 d) The Larmor Precession. . 7 e) Experimental Aspects . . . . 8 1. 2. Chemical Shifts . . . . . . . . 9 a) The Screening Constant 11. . . 9 b) Chemical Shift Scales (11 and r) 10 1. 3. Spin Coupling Constants 12 1. 4. Intensities. . . . . . . .
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ISBN-13
978-3-642-65205-9 (9783642652059)
DOI
10.1007/978-3-642-65205-9
Schweitzer Klassifikation
I. Principles of NMR Spectroscopy.- I.1. The Magnetic Resonance Phenomenon.- I.2. Chemical Shifts.- I.3. Spin Coupling Constants.- I.4. Intensities.- II. Some Basic Concepts.- II. 1. Groups of Equivalent Spins.- II.2. Time Averaging Phenomena.- II.3. The Energy Level and Transition Diagram.- II.4. Strong and Weak Coupling. Nomenclature.- II.5. Invariants in NMR Spectra.- III. Miscellaneous Aids for Spectral Assignment.- III.1. The Need for Additional Information.- III.2. The Effects of a Strong Stimulating Field.- III.3. Controlled Variations of the Larmor Frequencies.- III.4. Double Resonance Methods.- IV. Instant Analysis of NMR Spectra.- IV. 1. Simple First Order Spectra.- IV.2. The Two-Spin System AB.- IV.3. Deceptive Simplicity.- IV.4. The Three-Spin System ABX.- IV.5. Generalization of the ABX Analysis Method: ABPX, ABX
n etc.- IV.6. Magnetic Equivalence and Composite Particles.- IV.7. Spectra Characterized by One Spin-coupling Constant: AnBm.- IV.8. The Structure of AnBmXp Spectra.- IV. 9. The Symmetrical Four-Spin Systems AA'XX' and AA'BB'.- V. Quantum Mechanical Formalism.- V. 1. Introduction to the Quantum Mechanical Description of Spin Systems.- V.2. Quantum Mechanical Calculation of NMR Spectra.- V. 3. Iterative and Least Squares Fit Procedures.- VI. Historical Notes and Suggestions for Further Reading.- Appendix A: Sign Ambiguities in ABPX Spectra.- References.
