Solution NMR of Paramagnetic Molecules

Applications to metallobiomolecules and models


  • I. Bertini, Department of Chemistry, University of Florence, Italy
  • C. Luchinat, Department of Agricultural Biotechnology, University of Florence, Italy
  • G. Parigi, Department of Agricultural Biotechnology, University of Florence, Italy

NMR is a growing technique which represents a generalized, spread, common tool for spectroscopy and for structural and dynamic investigation. Part of the field of competence of NMR is represented by molecules with unpaired electrons, which are called paramagnetic. The presence of unpaired electrons is at the same time a drawback (negative effect) and a precious source of information about structure and dynamics. New phenomena and effects are described which are due to the high magnetic fields and advances in the methodology. Solution NMR of Paramagnetic Molecules is unique in dealing with these matters. The scope is that of presenting a complete description, which is both rigorous and pictorial, of theory and experiments of NMR of paramagnetic molecules in solution. Pertinent examples are described. From the time dependent behaviour of electrons in the various metal ions including polimetallic systems to the hyperfine-based information, and from NMR experiments to constraints for solution structure determination. The book's major theme is how to perform high resolution NMR experiments and how to obtain structural and dynamic information on paramagnetic metal ion containing systems.
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For graduate students of chemistry, biochemistry and biophysics, moreover, chemists, biochemists, inorganic chemists, researchers interested in Spectroscopy and NMR who will encounter paramagnetic molecules in their research as a common event and will discover that the techniques here described are fundamental for their investigations. Teachers of graduate courses in biophysics and advanced inorganic chemistry may find part of the book suitable for the students.


Book information

  • Published: July 2001
  • Imprint: ELSEVIER
  • ISBN: 978-0-444-20529-2

Table of Contents

Selected Contents.Introduction.Magnetic moments and magnetic fields.About the spin moments.Something more about the nuclear spin.A lot more about the electron spin.About the energies.Magnetization and magnetic susceptibility.The nuclear magnetic resonance experiment.The hyperfine shift. Nuclear hyperfine shift and relaxation. Relaxation. Introduction.The correlation time.Chemical exchange, chemical equilibria and dynamics.Introduction.A pictorial view of chemical exchange.Transition metal ions: shift and relaxation.Iron.Magnetic coupled systems.The induced magnetic moment per metal ion in polymetallic systems and the hyperfine contact shift.Nuclear Overhauser effect.Introduction.Two-dimensional spectra and beyond.Introduction.The EXSY experiment.Hints on experimental techniques.How to record 1D NMR spectra of paramagnetic molecules.Appendix I NMR properties of nuclei. Appendix II Dipolar coupling between two spins. Appendix III Derivation of the equations for contact shift and relaxation in a simple case. Appendix IV Derivation of pseudocontact shift in the case of axial symmetry. Appendix V Relaxation by dipolar interaction between two spins. Appendix VI Calculation of (Sz): Curie's law. Appendix VII Derivation of the equations related to NOE. Appendix VIII Magnetically coupled dimers in the high-temperature limit. Appendix IX Product operators: basic tools. Appendix X Reference tables. Subject index.