Quadrupole coupling in NMR
四極偶合




Knowing the quadrupole coupling in NMR (nuclear magnetic resonance) of a nucleus in solids allows us to determine the local symmetry of a crystallographic site.

With a featureless NMR lineshape, lineshape analysis is not suitable for determining the quadrupole coupling. Since the variation of the line intensity versus the RF (radio-frequency) pulse length depends on the quadrupole coupling, the one-dimensional nutation method, which records a series of spectra for increasing RF pulse length, allows us to extract the quadrupole coupling by fitting the experimental line intensities to the theoretical curve.

Java applets are provided for calculating the nutation NMR line intensity of half-integer quadrupole spins, excited by various RF pulse sequences, in order to determine the quadrupole coupling in a single crystal and powder by fitting a series of experimental line intensities with the Simplex procedure.

The applets have been written with SUN's JDK1.0.2, JDK1.1.8, and JDK1.3. The fastest execution of an applet is provided by:

  • Firefox 3,
  • Internet Explorer 5.0-7,
  • Netscape 6.1-9.0,
  • Opera 5.11-9.5.

Recent NMR books, encyclopedia, reviews, and theses

NMR Primer NMR Primer: An HSQC-Based Approach (with Vector Animations),
Steven M. Pascal
with animations by Jennie M. McKelvie
IMPublications (2008).

Spin Dynamics, 2nd edition Spin Dynamics: Basics of Nuclear Magnetic Resonance, 2nd edition,
Malcolm H. Levitt
Wiley, Chichester (2008).

Solid-state 17O NMR studies of organic and biological molecules,
Gang Wu
Prog. Nucl. Magn. Reson. Spectrosc. 52, 118-169 (2008).

Studying porous materials with krypton-83 NMR spectroscopy,
Z. I. Cleveland and T. Meersmann
Magn. Reson. Chem. 45, S12-S23 (2007).

Vanadium-51 NMR,
Dieter Rehder, Tatyana Polenova, and Michael Buhl
Annu. Rep. NMR Spectros. 62, 49-114 (2007).

Applications of REDOR for distance measurements in biological solids,
S. L. Grage and A. Watts
Annu. Rep. NMR Spectros. 60, 191-228 (2007).

NMR-Quantum-Information-Processing NMR Quantum Information Processing,
Ivan Oliveira, Roberto Sarthour Jr., Eduardo Azevedo, and Jair C. C. Freitas
Elsevier Science (2007).

A practical guide for solid-state NMR distance measurements in proteins,
F. A. Kovacs, D. J. Fowler, G. J. Gallagher, and L. K. Thompson
Concepts Magn. Reson. A 30, 21-39 (2007).

Solid-state Li NMR with applications to the translational dynamics in ion conductors,
R. Böhmer, K. R. Jeffrey, and M. Vogel
Prog. Nucl. Magn. Reson. Spectrosc. 50, 87-174 (2007).
roland.bohmer@uni-dortmund.de

Quadrupolar NMR of inorganic materials: the multiple-quantum magic angle spinning experiment,
S. Wimperis
in Modern Magnetic Resonance,
Graham A. Webb (Ed),
Springer, Dordrecht, pages 1487-1494 (2006).

Modern Magnetic Resonance, (3 volumes)
Part 1: Applications in Chemistry, Biological and Marine Sciences, Part 2: Applications in Medical and Pharmaceutical Sciences, Part 3: Applications in Materials Science and Food Science,
Graham A. Webb (Ed.),
Springer, Dordrecht (2006).

NMR studies of phase transitions,
C. Odin
Annu. Rep. NMR Spectros. 59, 117-205 (2006).
christophe.odin@univ-rennes1.fr

Solid state 17O NMR - an introduction to the background principles and applications to inorganic materials,
S. E. Ashbrook and M. E. Smith
Chem. Soc. Rev. 35, 718-735 (2006).
M.E.Smith.1@warwick.ac.uk


Address: Pascal P. Man, Directeur de recherche,
UPMC Univ Paris 06, CNRS, UMR 7142,
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