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,
  • Opera 5.11-11.

Recent NMR books, encyclopedia, reviews, and theses

NMR of Quadrupolar Nuclei in Solid Materials NMR of Quadrupolar Nuclei in Solid Materials,
edited by Roderick E. Wasylishen, Sharon E. Ashbrook, and Stephen Wimperis
(Wiley-Blackwell, 2012).

encyclopedia of magnetic resonance Quadrupolar interactions (PDF article, 220 kb),
Pascal P. Man
in Encyclopedia of Magnetic Resonance,
edited by R. K. Harris and R. E. Wasylishen,
(J. Wiley, Chichester, DOI: 10.1002/9780470034590.emrstm0429.pub2, 15th December 2011). Abstract

Solid-state Nmr in Materials Science Principles and Applications Solid-State NMR in Materials Science: Principles and Applications,
Vladimir I. Bakhmutov
CRC Press (2011).


Direct detection of nitrogen-14 in solid-state NMR spectroscopy,
L. A. O'Dell
Prog. Nucl. Magn. Reson. Spectrosc. 59, 295-318 (2011). Abstract

Recent progress in the solid-state NMR studies of biomineralization,
Tim W. T. Tsai and Jerry C. C. Chan
Annu. Rep. Nucl. Magn. Reson. Spectrosc. 73, 1-61 (2011). Abstract

High-resolution 1H NMR spectroscopy of solids,
Paul Hogdkinson
Annu. Rep. Nucl. Magn. Reson. Spectrosc. 72, 185-223 (2011). Abstract, Google book

Recent technique developments and applications of solid state NMR in characterising inorganic materials,
J. V. Hannaa and M. E. Smith
Solid State Nucl. Magn. Reson. 398, 1-18 (2010). Abstract

Trends in solid-state NMR spectroscopy and their relevance for bioanalytics,
Silvia Paasch and Eike Brunner
Anal. Bioanal. Chem. 398, 2351-2362 (2010). Abstract

Understanding NMR Spectroscopy, 2nd Edition Understanding NMR Spectroscopy, 2nd Edition,
James Keeler,
J. Wiley, Chichester (2010).


Solid-state_NMR_of_biopolymers Solid-State NMR of Biopolymers,
Anne E. McDermott and Tatyana Polenova (Eds.),
J. Wiley, Chichester (2010).
Google book

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



Address: Pascal P. Man, Directeur de recherche,
UPMC Univ Paris 06 - Le Raphaël, CNRS, FR 2482,
Institut des matériaux de Paris-Centre,
3, rue Galilée, 94200 Ivry-sur-Seine, France
Phone: +33 1 44 27 38 27, E-mail: pm@pascal-man.com, Faculté de Chimie (UFR 926)
Location via Google Map

[Contact me] - Last updated March 26, 2012
Copyright © 2002- pascal-man.com. All rights reserved.