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 5.0-8,
  • Netscape 6.1-9.0,
  • Opera 5.11-10.

Recent NMR books, encyclopedia, reviews, and theses

Second-order cross-term interactions in high-resolution MAS NMR of quadrupolar nuclei,
Sharon E. Ashbrook, Jamie McManus, Michael J. Thrippleton, and Stephen Wimperis
Prog. Nucl. Magn. Reson. Spectrosc. 55, 160-181 (2009). Abstract

Chlorine, bromine, and iodine solid-state NMR spectroscopy,
C. M. Widdifield, R. P. Chapman, and D. L. Bryce
Annu. Rep. Nucl. Magn. Reson. Spectrosc. 66, 195-326 (2009). Abstract

Solid-state NMR of quadrupolar halogen nuclei,
R. P. Chapman, C. M. Widdifield, and D. L. Bryce
Prog. Nucl. Magn. Reson. Spectrosc. 55, 215-237 (2009). Abstract

Practical aspects of 51V and 93Nb solid-state NMR spectroscopy and applications to oxide materials,
O. B. Lapina, D. F. Khabibulin, A. A. Shubin, and V. V. Terskikh
Prog. Nucl. Magn. Reson. Spectrosc. 53, 128-191 (2008).

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

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).

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 Spectrosc. 62, 49-114 (2007).

Applications of REDOR for distance measurements in biological solids,
S. L. Grage and A. Watts
Annu. Rep. NMR Spectrosc. 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). Google book


Address: Pascal P. Man, Directeur de recherche,
UPMC Univ Paris 06, CNRS, FR 2482,
Institut des matériaux de Paris-Centre,
4 place Jussieu, casier 196, F-75005, Paris, France
Phone: +33 1 44 27 38 27, FAX: +33 1 44 27 55 36, E-mail: pm@pascal-man.com, Faculté de Chimie (UFR 926)
Location via Google Map

[Contact me] - Last updated February 02, 2010
Copyright © 2002- pascal-man.com. All rights reserved.