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Dynamic nuclear polarization by two-pulse phase modulation

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2023

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The Journal of Chemical Physics. AIP Publishing. 2023, 159(1), 014201. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/5.0153053

Zusammenfassung

The coherent transfer of electron spin polarization to nuclei by means of a microwave pulse sequence is a promising new approach to enhancing the sensitivity of solid-state nuclear magnetic resonance (NMR). The development of pulse sequences for dynamic nuclear polarization (DNP) of bulk nuclei is far from complete, as is the understanding of what makes a good DNP sequence. In this context, we introduce a new sequence, termed Two-Pulse Phase Modulation (TPPM) DNP. We provide a general theoretical description for electron–proton polarization transfer by periodic DNP pulse sequences and find it in excellent agreement with numerical simulations. In experiments at 1.2 T, TPPM DNP generates a higher gain in sensitivity than existing sequences XiX (X-inverse-X) and TOP (Time-Optimized Pulsed) DNP but does so at relatively high nutation frequencies. In contrast, we find that the XiX sequence performs very well at nutation frequencies as low as 7 MHz. A combination of theoretical analysis and experimental investigation makes clear that fast electron–proton polarization transfer, due to a well-preserved dipolar coupling in the effective Hamiltonian, correlates with a short build-up time of the dynamic nuclear polarization of the bulk. Experiments further show that the performances of XiX and TOP DNP are affected differently by the concentration of the polarizing agent. These results constitute important reference points for the development of new and better DNP sequences.

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Fachgebiet (DDC)
540 Chemie

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Quantum mechanical calculations, Magnetic dipole moment, Nuclear magnetic resonance, Fourier analysis, Perturbation theory, Larmor precession, Polarization, Pulsed electron paramagnetic resonance spectroscopy, Solid state NMR spectroscopy, Density-matrix

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ISO 690REDROUTHU, Venkata SubbaRao, Sanjay VINOD KUMAR, Guinevere MATHIES, 2023. Dynamic nuclear polarization by two-pulse phase modulation. In: The Journal of Chemical Physics. AIP Publishing. 2023, 159(1), 014201. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/5.0153053
BibTex
@article{Redrouthu2023-07-05Dynam-67497,
  year={2023},
  doi={10.1063/5.0153053},
  title={Dynamic nuclear polarization by two-pulse phase modulation},
  number={1},
  volume={159},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Redrouthu, Venkata SubbaRao and Vinod Kumar, Sanjay and Mathies, Guinevere},
  note={Article Number: 014201}
}
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