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Optimizing symmetry-based recoupling sequences in solid-state NMR by pulse-transient compensation and asynchronous

Johannes Hellwagner1, Kshama Sharma2, Kong Ooi Tan1

  • 1Physical Chemistry, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.

The Journal of Chemical Physics
|July 3, 2017
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Summary
This summary is machine-generated.

Solid-state nuclear magnetic resonance (NMR) experiments suffer from pulse imperfections. This study introduces pulse-transient compensation strategies to improve the performance and reproducibility of symmetry-based pulse sequences like R26.

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Area of Science:

  • Solid-state Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Quantum Control and Coherence

Background:

  • Pulse imperfections, including transients and radio-frequency field inhomogeneity, significantly degrade performance and reproducibility in solid-state NMR.
  • Symmetry-based pulse sequences are susceptible to these imperfections, limiting their effectiveness.

Purpose of the Study:

  • To quantitatively analyze the impact of pulse imperfections on symmetry-based pulse sequences.
  • To develop and demonstrate strategies for compensating these imperfections to restore transfer efficiency.
  • To compare the performance of compensated sequences against established methods.

Main Methods:

  • Utilized triple-mode Floquet analysis to theoretically describe symmetry-based dipolar recoupling sequences.
  • Calculated first- and second-order effective Hamiltonians using realistic pulse shapes.
  • Investigated origins of effective fields: pulse transients, flip angle deviations, and fictitious fields.
  • Implemented and compared transient-compensated pulses and asynchronous R26 sequence against the SR26 supercycle.

Main Results:

  • Demonstrated that pulse transients, flip angle deviations, and fictitious fields are key sources of error.
  • Showcased the superiority of the R26 sequence over the SR26 supercycle when employing pulse-transient compensation.
  • Achieved significant reduction in experimental error through theoretical understanding and compensation strategies.

Conclusions:

  • Pulse-transient compensation and a thorough theoretical understanding are crucial for optimizing solid-state NMR experiments.
  • The R26 sequence, when compensated, offers enhanced performance and reproducibility compared to higher-order error-compensating supercycles like SR26.
  • Developed strategies effectively counteract pulse imperfections, restoring full transfer efficiency in NMR experiments.