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

Phase cycling in MQMAS sequences for half-integer quadrupole spins,
Redouane Hajjar, Yannick Millot, and Pascal P. Man
Prog. Nucl. Magn. Reson. Spectrosc. 57, 306-342 (2010). Abstract

Analysis of electric field gradient tensors at quadrupolar nuclei in common structural motifs,
Jochen Autschbach, ShaoHui Zheng, and Robert W. Schurko
Concepts Magn. Reson. A 36, 84-126 (2010). Abstract

Oxygen-17 NMR spectroscopy: Basic principles and applications (part II),
Ioannis P. Gerothanassis
Prog. Nucl. Magn. Reson. Spectrosc. 57, 1-110 (2010). Abstract

NMR Primer Nuclear Magnetic Resonance Spectroscopy of Liquid Crystals,
Ronald Dong (Ed.)
World Scientific, Singapore (2010).
Google book

Indirect detection of nitrogen-14 in solid-state NMR spectroscopy,
Simone Cavadini
Prog. Nucl. Magn. Reson. Spectrosc. 56, 46-77 (2010). Abstract

Proton distributions and hydrogen bonding in crystalline and glassy hydrous silicates and related inorganic materials: Insights from high- resolution solid-state nuclear magnetic resonance spectroscopy,
Xianyu Xue and Masami Kanzaki
J. Am. Ceram. Soc., 92, 2803-2830 (2009). Abstract

NMR Crystallography NMR Crystallography,
Robin K. Harris, Roderick E. Wasylishen, and Melinda J. Duer (Eds.),
Wiley, Chichester (2009).
Google book

Explosives Detection Using Magnetic and Nuclear Resonance Techniques Explosives Detection Using Magnetic and Nuclear Resonance Techniques,
Jacques Fraissard and Olga Lapina (Eds.),
NATO Science for Peace and Security Series B:
Physics and Biophysics
Springer, Dordrecht (2009).
Google book

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



Address: Pascal P. Man, Directeur de recherche,
UPMC Univ Paris 06, CNRS, FR 2482,
Institut des matériaux de Paris-Centre,
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