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Journal of Chemical Physics / Volume 133 / Issue 5 / ARTICLES / Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation

J. Chem. Phys. 133, 054501 (2010); http://dx.doi.org/10.1063/1.3463653 (10 pages)

Trading sensitivity for information: Carr–Purcell–Meiboom–Gill acquisition in solid-state NMR

Krishna K. Dey, Jason T. Ash, Nicole M. Trease, and Philip J. Grandinetti

Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, USA

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(Received 22 March 2010; accepted 23 June 2010; published online 2 August 2010)

The Carr–Purcell–Meiboom–Gill (CPMG) experiment has gained popularity in solid-state NMR as a method for enhancing sensitivity for anisotropically broadened spectra of both spin 1/2 and half integer quadrupolar nuclei. Most commonly, the train of CPMG echoes is Fourier transformed directly, which causes the NMR powder pattern to break up into a series of sidebands, sometimes called “spikelets.” Larger sensitivity enhancements are observed as the delay between the π pulses is shortened. As the duration between the π pulses is shortened, however, the echoes become truncated and information about the nuclear spin interactions is lost. We explored the relationship between enhanced sensitivity and loss of information as a function of the product Ω 2τ, where Ω is the span of the anisotropic lineshape and 2τ is the π pulse spacing. For a lineshape dominated by the nuclear shielding anisotropy, we found that the minimum uncertainty in the tensor values is obtained using Ω 2τ values in the range Ω 2τ ≈ 12−1+6 and Ω 2τ ≈ 9−3+3 for ηs = 0 and ηs = 1, respectively. For an anisotropic second-order quadrupolar central transition lineshape under magic-angle spinning (MAS), the optimum range of Ω 2τ ≈ 9−2+3 was found. Additionally, we show how the Two-dimensional One Pulse (TOP) like processing approach can be used to eliminate the cumbersome sideband pattern lineshape and recover a more familiar lineshape that is easily analyzed with conventional lineshape simulation algorithms.

© 2010 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. EXPERIMENTAL
    1. Span
  3. TOP PROCESSING FOR CPMG DATA
  4. RESULTS AND DISCUSSION
    1. First-order chemical shift
    2. Second-order quadrupolar coupling
  5. SUMMARY

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KEYWORDS and PACS

Keywords

Fourier transforms, nuclear magnetic resonance, spin echo (NMR)

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3463653

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    H. Y. Carr and E. M. Purcell, Phys. Rev. 94, 630 (1954).

    S. Meiboom and D. Gill, Rev. Sci. Instrum. 29, 688 (1958)RSINAK000029000008000688000001.

    E. L. Hahn, Phys. Rev. 80, 580 (1950).

    R. Lefort, J. W. Wiench, M. Pruski, and J. P. Amoureux, J. Chem. Phys. 116, 2493 (2002)JCPSA6000116000006002493000001.

    P. Hodgkinson and L. Emsley, J. Chem. Phys. 107, 4808 (1997)JCPSA6000107000013004808000001.


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