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Solution NMR of Paramagnetic Molecules - 1st Edition - ISBN: 9780444205292, 9780080541488

Solution NMR of Paramagnetic Molecules, Volume 2

1st Edition

Applications to Metallobiomolecules and Models

Authors: Ivano Bertini Claudio Luchinat Giacomo Parigi
eBook ISBN: 9780080541488
Hardcover ISBN: 9780444205292
Paperback ISBN: 9780444549396
Imprint: Elsevier Science
Published Date: 4th July 2001
Page Count: 384
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Table of Contents

Selected Contents.
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.

The correlation time.

Chemical exchange, chemical equilibria and dynamics.
A pictorial view of chemical exchange.

Transition metal ions: shift and relaxation.

Magnetic coupled systems.
The induced magnetic moment per metal ion in polymetallic systems and the hyperfine contact shift.

Nuclear Overhauser effect.

Two-dimensional spectra and beyond.
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.


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.


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.


No. of pages:
© Elsevier Science 2001
4th July 2001
Elsevier Science
eBook ISBN:
Hardcover ISBN:
Paperback ISBN:

Ratings and Reviews

About the Authors

Ivano Bertini

Ivano Bertini

Ivano Bertini, born on December 6, 1940 in Pisa, Italy, obtained the Italian degree of Doctor of Chemistry at the University of Florence in 1964 and became Full Professor of General and Inorganic Chemistry in 1975 at the University of Florence. A member of the Academia Europaea and the Italian Accademia dei Lincei, he received the Laurea Honoris Causa from the University of Stockholm, Ioannina and Siena. In 1999, he founded the Magnetic Resonance Center (CERM), a major NMR infrastructure in the Life Sciences. His main research interests included advancements in nuclear magnetic resonance spectroscopy, the expression and preparation of metalloproteins, their structural characterization, and the investigation of their interactions, with an emphasis on understanding cellular processes at the molecular level. He published over 650 research articles and solved more than 150 protein structures. He passed away on July 7, 2012.

Affiliations and Expertise

Department of Chemistry, University of Florence, Italy

Claudio Luchinat

Claudio Luchinat

Claudio Luchinat, born in Florence, Italy, on February 15, 1952, obtained his doctor in chemistry cum laude at the University of Florence. He was a postdoctor and researcher at the University of Florence, and Full Professor of Chemistry at the University of Bologna (1986-1996) and Florence (1996-). He is a recipient of the “Raffaello Nasini” gold medal award for inorganic chemistry of the Italian Chemical Society, 1989; Federchimica Award “For an Intelligent Future”, 1994; European Medal for Biological Inorganic Chemistry, 1996; and “GDRM gold medal for magnetic resonance”, 2001. His research interests include development of NMR-based structural methodologies in solution and in the solid state, theory of electron and nuclear relaxation, NMR of paramagnetic species, relaxometry, contrast agents, bioinorganic chemistry, metabolomics and NMR-based analytical methods. He is the author of more than 500 publications and of four books. His h-index is above 70 and his papers have been cited more than 20,000 times.

Affiliations and Expertise

University of Florence, Florence, Italy

Giacomo Parigi

Giacomo Parigi

Giacomo Parigi, born in Borgo San Lorenzo, Italy, on September 17, 1967, graduated in Physics at the University of Florence (1992) and obtained his Ph.D. in chemistry at the University of Florence, Italy. He is Associate Professor of Chemistry since 2006 at the University of Florence. His research interests are mainly oriented to the study of NMR effects related to paramagnetism for the structural and dynamic characterization of biomolecules, to the analysis of the relaxometric profiles of paramagnetic systems and biomolecules, and to nuclear and electron relaxation.

Affiliations and Expertise

University of Florence, Florence, Italy