NMR of Paramagnetic Molecules

List of ContributorsPreface1. The Paramagnetic Shift I. Introduction II. High-Resolution Nuclear Magnetic Resonance in Diamagnetic Systems III. Electron Paramagnetic Resonance in the Hydrogen Atom IV. High-Resolution Nuclear Magnetic Resonance in a Simple Paramagnetic System V. General Treatment of High-Resolution Nuclear Magnetic Resonance Shifts in Paramagnetic Systems VI. Application of the General Theory VII. Other Factors Affecting the Paramagnetic Shift VIII. Summary Appendix: Density Matrix Theory References2. The Paramagnetic Linewidth I. Introduction II. Magnetic Relaxation and the NMR Line Shape III. Mechanisms of Nuclear Spin-Lattice Relaxation IV. Electron-Spin Relaxation References3. Spin Delocalization and Electronic Structure I. Introduction II. Spin Density and Electron Correlation III. Hyperfine Coupling Constants and Spin Density IV. Spin Delocalization and Spin Polarization V. Metal-Ligand Covalency References4. Analysis of Isotropic Shifts I. Introduction II. Determination of the Origin of Observed Shifts III. Characterization of Contact Shifts by Quantum Mechanical Models References5. Spin Distribution in Organic Ligands I. Introduction II. Qualitative Applications of Ligand Spin Density Measurements III. The Quantitative Assessment of Spin Density Distributions IV. The Effect of Other Ligands on Spin Density Distributions V. Conclusion References6. Spin Distribution in Organometallic Compounds I. Introduction II. Bis-p-Cyclopentadienyl Complexes: Results III. Discussion of Bis-p-Cyclopentadienyl Complexes IV. Bis-Arene Organometallics: Results V. Discussion of Bis-Arene Organometallics VI. Contact Shifts of Other Organometallics VII. Conclusions References7. Stereochemistry and Structural and Electronic Equilibria I. Introduction II. Stereochemistry and Structural Equilibria III. Spin Equilibria Appendix References8. Dynamics of Intramolecular Rearrangements I. Introduction II. Metal-Centered Rearrangements III. Ligand-Centered Rearrangements References9. Solvation and the Second Coordination Sphere I. Introduction II. Theory III. Applications References10. Novel Structural Studies in Solution I. Introduction II. Ion Pairing in Solution III. Orbital Ground State Symmetry References11. Biological Applications I. Introduction II. PMR Characteristics of Proteins III. Contact Shifts Induced by Extrinsic Ions IV. Heme Proteins V. Iron-Sulfur Proteins VI. Conclusions References12. Lanthanide Shift Reagents and Other Analytical Applications I. Introduction II. Lanthanide Shift Reagents III. Spin Decoupling and Relaxation Enhancement IV. Determination of Relative Stability Constants References13. Lanthanide and Actinide Complexes I. Introduction II. Important General Features of the Electronic Structure of fn Systems III. Experimental Results IV. The Origin of the Pure Fermi Contact Contributions References14. Nuclei Other Than Protons I. Introduction-Scope and General Overview II. Distinctive Features of Heteronuclear NMR III. Survey of Experimental Results Appendix References15. NMR Studies of Organic Radicals I. Introduction II. Kinetics of Reactions Involving Diamagnetic and Paramagnetic Molecules III. Hyperfine Coupling Constants from NMR Spectra IV. NMR of Polyradicals V. Radical-Solvent Interactions References16. Some Notes Added in Proof I. Introduction II. Analysis of Isotropic Shifts III. Stereochemistry IV. Intramolecular Rearrangements V. Biological Applications VI. Shift Reagents and Analytical Applications VII. Deuterium NMR ReferencesAuthor IndexSubject Index